added LF=UNIX to a bunch of files
This commit is contained in:
Martin Diehl
parent
d8ffc29236
commit
d68a3d1869
28
LICENSE
28
LICENSE
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@ -1,14 +1,14 @@
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Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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This program is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with this program. If not, see <http://www.gnu.org/licenses/>.
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Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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This program is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
|
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with this program. If not, see <http://www.gnu.org/licenses/>.
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14
README
14
README
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@ -1,8 +1,8 @@
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CONTACT INFORMATION
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Max-Planck-Institut für Eisenforschung GmbH
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Max-Planck-Str. 1
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40237 Düsseldorf
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Germany
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CONTACT INFORMATION
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Max-Planck-Institut für Eisenforschung GmbH
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Max-Planck-Str. 1
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40237 Düsseldorf
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Germany
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DAMASK@mpie.de
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@ -127,7 +127,6 @@ subroutine DAMASK_interface_init()
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loadcaseParameter = '' ! should be empty
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loadcaseParameter(1:length)=commandLine(start:start+length)
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print*, loadcaseParameter
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do i=1,len(commandLine) ! remove capitals
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if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i)&
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= achar(iachar(commandLine(i:i))+32)
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@ -592,7 +592,7 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
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#ifndef _OPENMP
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if (debug_verbosity > 4 &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
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write(6,'(a,f10.8,a,f10.8,a)') '<< CRYST >> winding forward from ', &
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write(6,'(a,f12.8,a,f12.8,a)') '<< CRYST >> winding forward from ', &
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crystallite_subFrac(g,i,e),' to current crystallite_subfrac ', &
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crystallite_subFrac(g,i,e)+crystallite_subStep(g,i,e),' in crystallite_stressAndItsTangent'
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write(6,*)
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@ -637,7 +637,7 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
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#ifndef _OPENMP
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if (debug_verbosity > 4_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
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write(6,'(a,f10.8)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
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write(6,'(a,f12.8)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
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crystallite_subStep(g,i,e)
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write(6,*)
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endif
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@ -182,7 +182,6 @@ COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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-fall-intrinsics\
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-pedantic\
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-Warray-bounds\
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-Wunused-parameter\
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-Wampersand\
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-Wno-tabs\
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-Wcharacter-truncation\
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@ -190,9 +189,14 @@ COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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-Waliasing\
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-Wconversion\
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-Wsurprising\
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-Wunused-value\
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-Wunderflow
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-Wunderflow\
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-Wswitch\
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-Wstrict-overflow\
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-Wextra\
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-Wattributes\
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-Wunsafe-loop-optimizations\
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-Wunused
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#-xf95-cpp-input: preprocessor
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#-ffree-line-length-132: restrict line length to the standard 132 characters
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#-fno-range-check: disables checking if result can be represented by variable. Needs to be set to enable DAMASK_NaN
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@ -200,7 +204,6 @@ COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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#-fall-intrinsics:
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#-pedantic: more strict on standard, enables some of the warnings below
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#-Warray-bounds: checks if array reference is out of bounds at compile time. use -fcheck-bounds to also check during runtime
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#-Wunused-parameter: find usused variables with "parameter" attribute
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#-Wampersand: checks if a character expression is continued proberly by an ampersand at the end of the line and at the beginning of the new line
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#-Wno-tabs: do not allow tabs in source
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#-Wcharacter-truncation: warn if character expressions (strings) are truncated
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@ -209,14 +212,20 @@ COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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#-Wconversion: warn about implicit conversions between different type
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#-Wsurprising: warn when "suspicious" code constructs are encountered. While technically legal these usually indicate that an error has been made.
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#-Wunused-value:
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#-Wunused-parameter: find usused variables with "parameter" attribute
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#-Wunderflow: produce a warning when numerical constant expressions are encountered, which yield an UNDERFLOW during compilation
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#
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#-Wswitch: warn whenever a "switch" statement has an index of enumerated type and lacks a "case" for one or more of the named codes of that
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# enumeration. (The presence of a "default" label prevents this warning.) "case" labels outside the enumeration range also provoke
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# warnings when this option is used (even if there is a "default" label)
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#-Wstrict-overflow
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#-Wattributes Warn about inappropriate attribute usage
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# -Wunsafe-loop-optimizations Warn if the loop cannot be optimized due to nontrivial assumptions.
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###################################################################################################
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#OPTIONS FOR GFORTRAN 4.6
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#-Wsuggest-attribute=const:
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#-Wsuggest-attribute=noreturn:
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#-Wsuggest-attribute=pure:
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#
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#-Wreal-q-constant: Warn about real-literal-constants with 'q' exponent-letter
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#MORE OPTIONS FOR DEBUGGING DURING COMPILING
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#-Wline-truncation: too many warnings because we have comments beyond character 132
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#-Wintrinsic-std: warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers:
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@ -1,19 +1,19 @@
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! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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! the Free Software Foundation, either version 3 of the License, or
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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! Copyright 2011,2012 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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! the Free Software Foundation, either version 3 of the License, or
|
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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@ -42,7 +42,6 @@ parser.add_option('-f','--formula', dest='formulas', action='extend', type='stri
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parser.set_defaults(labels= [])
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parser.set_defaults(formulas= [])
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parser.set_defaults(counter= False)
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(options,filenames) = parser.parse_args()
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@ -35,18 +35,18 @@ parsing = [ \
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['error_stress', r'^error stress = [ +-eE0123456789.]+ \( ([+-eE0123456789.]+)'],
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['crit_divergence', r'^error divergence = ([ +-eE0123456789.]+) \( [+-eE0123456789.]+'],
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['crit_stress', r'^error stress = ([ +-eE0123456789.]+) \( [+-eE0123456789.]+'],
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['max(sym(deltaF))', r'^max symmetrix correction of deformation: ([ +-eE0123456789.]+)'],
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['max(skew(deltaF))', r'^max skew correction of deformation: ([ +-eE0123456789.]+)'],
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['max(sym/skew(avg(deltaF)))', r'^max sym/skew of avg correction: ([ +-eE0123456789.]+)'],
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['det(Fbar)', r'^determinant of new deformation: ([ +-eE0123456789.]+)'],
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['max(det(F))', r'^max determinant of deformation:([ +-eE0123456789.]+)'],
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['min(det(F))', r'^min determinant of deformation:([ +-eE0123456789.]+)'],
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['max(sym(deltaF))', r'^max symmetrix correction of deformation = ([ +-eE0123456789.]+)'],
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['max(skew(deltaF))', r'^max skew correction of deformation = ([ +-eE0123456789.]+)'],
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['max(sym/skew(avg(deltaF)))', r'^max sym/skew of avg correction = ([ +-eE0123456789.]+)'],
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['det(Fbar)', r'^determinant of new deformation = ([ +-eE0123456789.]+)'],
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['max(det(F))', r'^max determinant of deformation = ([ +-eE0123456789.]+)'],
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['min(det(F))', r'^min determinant of deformation = ([ +-eE0123456789.]+)'],
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['div_FT_max', r'^error divergence FT max = ([ +-eE0123456789.]+)'],
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['div_Real_RMS', r'^error divergence Real RMS = ([ +-eE0123456789.]+)'],
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['div_Real_max', r'^error divergence Real max = ([ +-eE0123456789.]+)'],
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['real(error_FT)', r'^max FT relative error ([ +-eE0123456789.]+) [ +-eE0123456789.]+'],
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['img(error_FT)', r'^max FT relative error [ +-eE0123456789.]+ ([ +-eE0123456789.]+)'],
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['real(error_iFT)', r'^max iFT relative error ([ +-eE0123456789.]+)'],
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['real(error_FT)', r'^max FT relative error = ([ +-eE0123456789.]+) [ +-eE0123456789.]+'],
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['img(error_FT)', r'^max FT relative error = [ +-eE0123456789.]+ ([ +-eE0123456789.]+)'],
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['real(error_iFT)', r'^max iFT relative error = ([ +-eE0123456789.]+)'],
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['error_postProc', r'^max deviat. from postProc =([ +-eE0123456789.]+)'],
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['loadcase', r'^Loadcase (\d+) Increment \d+/\d+ @ Iteration \d+/\d+']
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]
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@ -1,205 +1,205 @@
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#include <iostream>
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#include <stdio.h>
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#include <stdlib.h>
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#include <string.h>
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#include <math.h>
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struct
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{
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float phi1, Phi, phi2;
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float ci, iq, fit, avgIQ;
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int phase, ds;
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} data[3000][3000];
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int round2( double x )
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{
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double fl, ce;
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fl = floor( x );
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ce = ceil( x );
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if( fabs( fl-x ) < fabs( ce-x ) )
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return fl;
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else
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return ce;
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}
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char lineBuffer[200];
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int ReadFileInfo(FILE *oimStream, int *xmax, int *ymax, double *stepSize )
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{
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double x, y, dxmax;
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long count;
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*stepSize = 0;
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dxmax = 0;
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*xmax = 0;
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while( fgets( lineBuffer, 200, oimStream ) != NULL )
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{
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if( lineBuffer[0] == '#' )
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{
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if( strcmp( lineBuffer, "# GRID: SqrGrid" ) == 0 )
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{
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printf("\nThe file is already a square grid file.\nProgram terminated.");
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return 0;
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}
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count = 0;
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continue;
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}
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if( sscanf( lineBuffer, "%*lf %*lf %*lf %lf %lf %*lf %*lf %*i %*i %*lf %*lf", &x, &y ) != 2 )
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return 0;
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if( *stepSize == 0 && x != 0 )
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*stepSize = x;
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if( x > dxmax )
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{
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dxmax = x;
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(*xmax)++;
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}
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count++;
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}
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(*xmax)++;
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*ymax = (int)(count / *xmax );
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return 1;
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}
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int main(int argc, char* argv[])
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{
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int xx, yy, zz, xlimit, ylimit, zlimit, xlimitOut, xOut;
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double stepSize;
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char zFilename[50], zOutFilename[50], filename[50];
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FILE *inStream, *outStream;
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int zStartNumber, zEndNumber;
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printf( "\nFilenames must have the format ""root_xxx.ang"""
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"\nwith xxx indicating a 3-digit integer"
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"\nEnter oim map filename-root, the start integer and the end integer number of the files: " );
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scanf( "%s %i %i", filename, &zStartNumber, &zEndNumber );
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zlimit = zEndNumber-zStartNumber+1;
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//read the first data file and get all necessary start data
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sprintf( zFilename, "%s_%03i.ang", filename, zStartNumber );
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if( (inStream = fopen( zFilename, "r" )) == NULL )
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{
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printf( "\nCan't open %s", zFilename );
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exit( 1 );
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}
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if( ReadFileInfo( inStream, &xlimit, &ylimit, &stepSize ) == 0 )
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{
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printf( "\nWrong file format in %s", filename );
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exit( 1 );
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}
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fclose( inStream );
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for( zz=0; zz<zlimit; zz++ )
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{
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printf("\nReading");
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sprintf( zFilename, "%s_%03i.ang", filename, zz+zStartNumber );
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sprintf( zOutFilename, "%s_cub_%03i.ang", filename, zz+zStartNumber );
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if( (inStream = fopen( zFilename, "r" )) != NULL )
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{
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outStream = fopen( zOutFilename, "w" );
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//read file header
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do
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{
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if( fscanf( inStream, "%[^\n]\n", lineBuffer ) == EOF )
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{
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printf( "\nEarly end of file encountered in ANG file" );
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exit(1);
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}
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//write the file header
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if( lineBuffer[0] == '#' )
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{
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if( strcmp( lineBuffer, "# GRID: HexGrid" ) == 0 )
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fprintf( outStream, "# GRID: SqrGrid\n" );
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else
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fprintf( outStream, "%s\n", lineBuffer );
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}
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|
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}
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while( lineBuffer[0] == '#' );
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||||
for( yy=0; yy<ylimit; yy++)
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{
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printf(".");
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for( xx=0; xx<xlimit; xx++)
|
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{
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//t1: pattern quality, iq: confidence index, avgIQ: average Image Quality
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if( sscanf( lineBuffer, "%f %f %f %*f %*f %f %f %i %i %f %f",
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&data[xx][yy].phi1,
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&data[xx][yy].Phi,
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&data[xx][yy].phi2,
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&data[xx][yy].iq,
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&data[xx][yy].ci,
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&data[xx][yy].phase,
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&data[xx][yy].ds,
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&data[xx][yy].fit,
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&data[xx][yy].avgIQ ) != 9 )
|
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{
|
||||
printf( "\nWrong file format in %s", filename );
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exit( 1 );
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}
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|
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//read the next line buffer if there is any.
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//ylimit%2 only for hexagonal grid data (odd lines are shorter by 1 pixel)
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if( yy%2 == 1 && xx == xlimit-1 )
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{
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data[xx][yy].phi1 = data[xx-1][yy].phi1;
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data[xx][yy].Phi = data[xx-1][yy].Phi;
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data[xx][yy].phi2 = data[xx-1][yy].phi2;
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data[xx][yy].iq = data[xx-1][yy].iq;
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data[xx][yy].ci = data[xx-1][yy].ci;
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data[xx][yy].phase = data[xx-1][yy].phase;
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data[xx][yy].ds = data[xx-1][yy].ds;
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data[xx][yy].fit = data[xx-1][yy].fit;
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data[xx][yy].avgIQ = data[xx-1][yy].avgIQ;
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}
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else
|
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{
|
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if( fscanf( inStream, "%[^\n]\n", lineBuffer ) == EOF )
|
||||
{
|
||||
printf( "\nEarly end of file encountered in ANG file" );
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exit(1);
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||||
}
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||||
}
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||||
}//end for(x...
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}//end for(y...
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||||
fclose( inStream );
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printf("\nWriting");
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//the step size in y-direction (=0.866*stepSizeX)
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//is the new step size for x and y
|
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xlimitOut = round2( (double)xlimit/0.866);
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for( yy=0; yy<ylimit; yy++)
|
||||
{
|
||||
printf(".");
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||||
for( xx=0; xx<xlimitOut; xx++)
|
||||
{
|
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xOut = round2( (double)xx * 0.866 );
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fprintf( outStream, "%f %f %f %f %f %f %f %i %i %f %f\n",
|
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data[xOut][yy].phi1,
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data[xOut][yy].Phi,
|
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data[xOut][yy].phi2,
|
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xx * stepSize * 0.866,
|
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yy * stepSize * 0.866,
|
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data[xOut][yy].iq,
|
||||
data[xOut][yy].ci,
|
||||
data[xOut][yy].phase,
|
||||
data[xOut][yy].ds,
|
||||
data[xOut][yy].fit,
|
||||
data[xOut][yy].avgIQ );
|
||||
}//end for( xx...
|
||||
}//end for( yy...
|
||||
fclose( outStream );
|
||||
}
|
||||
else
|
||||
{
|
||||
printf( "\nExpected file %s does not exist", zFilename );
|
||||
exit( 1 );
|
||||
}
|
||||
}
|
||||
|
||||
return 0;
|
||||
}
|
||||
|
||||
#include <iostream>
|
||||
#include <stdio.h>
|
||||
#include <stdlib.h>
|
||||
#include <string.h>
|
||||
#include <math.h>
|
||||
|
||||
struct
|
||||
{
|
||||
float phi1, Phi, phi2;
|
||||
float ci, iq, fit, avgIQ;
|
||||
int phase, ds;
|
||||
} data[3000][3000];
|
||||
|
||||
int round2( double x )
|
||||
{
|
||||
double fl, ce;
|
||||
|
||||
fl = floor( x );
|
||||
ce = ceil( x );
|
||||
if( fabs( fl-x ) < fabs( ce-x ) )
|
||||
return fl;
|
||||
else
|
||||
return ce;
|
||||
}
|
||||
|
||||
char lineBuffer[200];
|
||||
|
||||
int ReadFileInfo(FILE *oimStream, int *xmax, int *ymax, double *stepSize )
|
||||
{
|
||||
double x, y, dxmax;
|
||||
long count;
|
||||
|
||||
*stepSize = 0;
|
||||
dxmax = 0;
|
||||
*xmax = 0;
|
||||
|
||||
while( fgets( lineBuffer, 200, oimStream ) != NULL )
|
||||
{
|
||||
if( lineBuffer[0] == '#' )
|
||||
{
|
||||
if( strcmp( lineBuffer, "# GRID: SqrGrid" ) == 0 )
|
||||
{
|
||||
printf("\nThe file is already a square grid file.\nProgram terminated.");
|
||||
return 0;
|
||||
}
|
||||
count = 0;
|
||||
continue;
|
||||
}
|
||||
if( sscanf( lineBuffer, "%*lf %*lf %*lf %lf %lf %*lf %*lf %*i %*i %*lf %*lf", &x, &y ) != 2 )
|
||||
return 0;
|
||||
if( *stepSize == 0 && x != 0 )
|
||||
*stepSize = x;
|
||||
if( x > dxmax )
|
||||
{
|
||||
dxmax = x;
|
||||
(*xmax)++;
|
||||
}
|
||||
count++;
|
||||
}
|
||||
(*xmax)++;
|
||||
*ymax = (int)(count / *xmax );
|
||||
|
||||
return 1;
|
||||
}
|
||||
|
||||
|
||||
int main(int argc, char* argv[])
|
||||
{
|
||||
int xx, yy, zz, xlimit, ylimit, zlimit, xlimitOut, xOut;
|
||||
double stepSize;
|
||||
char zFilename[50], zOutFilename[50], filename[50];
|
||||
FILE *inStream, *outStream;
|
||||
int zStartNumber, zEndNumber;
|
||||
|
||||
printf( "\nFilenames must have the format ""root_xxx.ang"""
|
||||
"\nwith xxx indicating a 3-digit integer"
|
||||
"\nEnter oim map filename-root, the start integer and the end integer number of the files: " );
|
||||
|
||||
scanf( "%s %i %i", filename, &zStartNumber, &zEndNumber );
|
||||
zlimit = zEndNumber-zStartNumber+1;
|
||||
|
||||
//read the first data file and get all necessary start data
|
||||
sprintf( zFilename, "%s_%03i.ang", filename, zStartNumber );
|
||||
if( (inStream = fopen( zFilename, "r" )) == NULL )
|
||||
{
|
||||
printf( "\nCan't open %s", zFilename );
|
||||
exit( 1 );
|
||||
}
|
||||
if( ReadFileInfo( inStream, &xlimit, &ylimit, &stepSize ) == 0 )
|
||||
{
|
||||
printf( "\nWrong file format in %s", filename );
|
||||
exit( 1 );
|
||||
}
|
||||
fclose( inStream );
|
||||
|
||||
for( zz=0; zz<zlimit; zz++ )
|
||||
{
|
||||
printf("\nReading");
|
||||
sprintf( zFilename, "%s_%03i.ang", filename, zz+zStartNumber );
|
||||
sprintf( zOutFilename, "%s_cub_%03i.ang", filename, zz+zStartNumber );
|
||||
if( (inStream = fopen( zFilename, "r" )) != NULL )
|
||||
{
|
||||
outStream = fopen( zOutFilename, "w" );
|
||||
//read file header
|
||||
do
|
||||
{
|
||||
if( fscanf( inStream, "%[^\n]\n", lineBuffer ) == EOF )
|
||||
{
|
||||
printf( "\nEarly end of file encountered in ANG file" );
|
||||
exit(1);
|
||||
}
|
||||
//write the file header
|
||||
if( lineBuffer[0] == '#' )
|
||||
{
|
||||
if( strcmp( lineBuffer, "# GRID: HexGrid" ) == 0 )
|
||||
fprintf( outStream, "# GRID: SqrGrid\n" );
|
||||
else
|
||||
fprintf( outStream, "%s\n", lineBuffer );
|
||||
}
|
||||
|
||||
}
|
||||
while( lineBuffer[0] == '#' );
|
||||
|
||||
for( yy=0; yy<ylimit; yy++)
|
||||
{
|
||||
printf(".");
|
||||
for( xx=0; xx<xlimit; xx++)
|
||||
{
|
||||
//t1: pattern quality, iq: confidence index, avgIQ: average Image Quality
|
||||
if( sscanf( lineBuffer, "%f %f %f %*f %*f %f %f %i %i %f %f",
|
||||
&data[xx][yy].phi1,
|
||||
&data[xx][yy].Phi,
|
||||
&data[xx][yy].phi2,
|
||||
&data[xx][yy].iq,
|
||||
&data[xx][yy].ci,
|
||||
&data[xx][yy].phase,
|
||||
&data[xx][yy].ds,
|
||||
&data[xx][yy].fit,
|
||||
&data[xx][yy].avgIQ ) != 9 )
|
||||
{
|
||||
printf( "\nWrong file format in %s", filename );
|
||||
exit( 1 );
|
||||
}
|
||||
|
||||
//read the next line buffer if there is any.
|
||||
//ylimit%2 only for hexagonal grid data (odd lines are shorter by 1 pixel)
|
||||
if( yy%2 == 1 && xx == xlimit-1 )
|
||||
{
|
||||
data[xx][yy].phi1 = data[xx-1][yy].phi1;
|
||||
data[xx][yy].Phi = data[xx-1][yy].Phi;
|
||||
data[xx][yy].phi2 = data[xx-1][yy].phi2;
|
||||
data[xx][yy].iq = data[xx-1][yy].iq;
|
||||
data[xx][yy].ci = data[xx-1][yy].ci;
|
||||
data[xx][yy].phase = data[xx-1][yy].phase;
|
||||
data[xx][yy].ds = data[xx-1][yy].ds;
|
||||
data[xx][yy].fit = data[xx-1][yy].fit;
|
||||
data[xx][yy].avgIQ = data[xx-1][yy].avgIQ;
|
||||
}
|
||||
else
|
||||
{
|
||||
if( fscanf( inStream, "%[^\n]\n", lineBuffer ) == EOF )
|
||||
{
|
||||
printf( "\nEarly end of file encountered in ANG file" );
|
||||
exit(1);
|
||||
}
|
||||
}
|
||||
}//end for(x...
|
||||
}//end for(y...
|
||||
fclose( inStream );
|
||||
printf("\nWriting");
|
||||
//the step size in y-direction (=0.866*stepSizeX)
|
||||
//is the new step size for x and y
|
||||
xlimitOut = round2( (double)xlimit/0.866);
|
||||
for( yy=0; yy<ylimit; yy++)
|
||||
{
|
||||
printf(".");
|
||||
for( xx=0; xx<xlimitOut; xx++)
|
||||
{
|
||||
xOut = round2( (double)xx * 0.866 );
|
||||
fprintf( outStream, "%f %f %f %f %f %f %f %i %i %f %f\n",
|
||||
data[xOut][yy].phi1,
|
||||
data[xOut][yy].Phi,
|
||||
data[xOut][yy].phi2,
|
||||
xx * stepSize * 0.866,
|
||||
yy * stepSize * 0.866,
|
||||
data[xOut][yy].iq,
|
||||
data[xOut][yy].ci,
|
||||
data[xOut][yy].phase,
|
||||
data[xOut][yy].ds,
|
||||
data[xOut][yy].fit,
|
||||
data[xOut][yy].avgIQ );
|
||||
}//end for( xx...
|
||||
}//end for( yy...
|
||||
fclose( outStream );
|
||||
}
|
||||
else
|
||||
{
|
||||
printf( "\nExpected file %s does not exist", zFilename );
|
||||
exit( 1 );
|
||||
}
|
||||
}
|
||||
|
||||
return 0;
|
||||
}
|
||||
|
||||
|
|
|
|||
|
|
@ -1,93 +1,93 @@
|
|||
!prec.f90 407 2009-08-31 15:09:15Z MPIE\f.roters
|
||||
!##############################################################
|
||||
MODULE prec
|
||||
!##############################################################
|
||||
|
||||
implicit none
|
||||
|
||||
! *** Precision of real and integer variables ***
|
||||
integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
|
||||
integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
|
||||
integer, parameter :: pLongInt = 8 ! should be 64bit
|
||||
|
||||
END MODULE prec
|
||||
|
||||
program voronoi
|
||||
use prec, only: pReal, pInt
|
||||
implicit none
|
||||
|
||||
logical, dimension(:), allocatable :: seedmap
|
||||
character(len=1024) filename
|
||||
integer(pInt), dimension(3) :: seedcoord
|
||||
integer(pInt), dimension(:), allocatable :: rndInit
|
||||
integer(pInt) a, b, c, N_Seeds, seedpoint, i, randomSeed, rndSize
|
||||
real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
|
||||
real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
|
||||
|
||||
print*, '******************************************************************************'
|
||||
print*, ' Voronoi description file'
|
||||
print*, '******************************************************************************'
|
||||
print*, '$Id$'
|
||||
print*, ''
|
||||
print*, 'generates:'
|
||||
print*, ' * description file "_OUTPUT_.seeds":'
|
||||
print*, ''
|
||||
write(*, '(A)', advance = 'NO') 'output seed filename: '
|
||||
read(*, *), filename
|
||||
write(*, '(A)', advance = 'NO') 'seed of random number generator: '
|
||||
read(*, *), randomSeed; randomSeed = max(0_pInt,randomSeed)
|
||||
write(*, '(A)', advance = 'NO') 'number of grains: '
|
||||
read(*, *), N_Seeds
|
||||
write(*, '(A)', advance = 'NO') 'min. Fourier points in x: '
|
||||
read(*, *), a
|
||||
write(*, '(A)', advance = 'NO') 'min. Fourier points in y: '
|
||||
read(*, *), b
|
||||
write(*, '(A)', advance = 'NO') 'min. Fourier points in z: '
|
||||
read(*, *), c
|
||||
|
||||
allocate (seedmap(a*b*c)); seedmap = .false. ! logical to store information which position is occupied by a voronoi seed
|
||||
allocate (seeds(N_Seeds,3))
|
||||
allocate (grainEuler(N_Seeds,3))
|
||||
|
||||
call random_seed(size=rndSize)
|
||||
allocate(rndInit(rndSize))
|
||||
rndInit = randomSeed
|
||||
call random_seed(put=rndInit)
|
||||
call random_seed(get=rndInit)
|
||||
|
||||
do i=1, N_Seeds
|
||||
call random_number(grainEuler(i,1))
|
||||
call random_number(grainEuler(i,2))
|
||||
call random_number(grainEuler(i,3))
|
||||
grainEuler(i,1) = (grainEuler(i,1))*360.0
|
||||
grainEuler(i,2) = acos(2.0_pReal*(grainEuler(i,2))-1.0_pReal)*180.0/pi
|
||||
grainEuler(i,3) = grainEuler(i,3)*360.0
|
||||
enddo
|
||||
|
||||
!generate random position of seeds for voronoi tessellation
|
||||
i = 1
|
||||
do while (i <= N_Seeds)
|
||||
call random_number(seeds(i,1)); seedcoord(1) = min(a,int(seeds(i,1)*a)+1_pInt)-1_pInt
|
||||
call random_number(seeds(i,2)); seedcoord(2) = min(b,int(seeds(i,2)*b)+1_pInt)-1_pInt
|
||||
call random_number(seeds(i,3)); seedcoord(3) = min(c,int(seeds(i,3)*c)+1_pInt)-1_pInt
|
||||
seedpoint = seedcoord(1) + seedcoord(2)*a + seedcoord(3)*a*b
|
||||
if (.not. seedmap(seedpoint+1)) then
|
||||
seedmap(seedpoint+1) = .true.
|
||||
i = i + 1
|
||||
end if
|
||||
end do
|
||||
|
||||
! write description file with orientation and position of each seed
|
||||
open(21, file = trim(filename)//('.seeds'))
|
||||
write(21, '(i1,a1,a6)') 4,achar(9),'header'
|
||||
write(21, '(A, I8, A, I8, A, I8)') 'resolution a ', a, ' b ', b, ' c ', c
|
||||
write(21, '(A, I8)') 'grains', N_Seeds
|
||||
write(21, '(A, I8)') 'random seed ',rndInit(1)
|
||||
write(21,'(6(a,a1))') 'x',achar(9),'y',achar(9),'z',achar(9),'phi1',achar(9),'Phi',achar(9),'phi2',achar(9)
|
||||
do i = 1, n_Seeds
|
||||
write(21, '(6(F10.6,a1))'),seeds(i,1), achar(9), seeds(i,2), achar(9), seeds(i,3), achar(9), &
|
||||
grainEuler(i,1),achar(9), grainEuler(i,2),achar(9), grainEuler(i,3),achar(9)
|
||||
end do
|
||||
close(21)
|
||||
deallocate (rndInit)
|
||||
end program voronoi
|
||||
!prec.f90 407 2009-08-31 15:09:15Z MPIE\f.roters
|
||||
!##############################################################
|
||||
MODULE prec
|
||||
!##############################################################
|
||||
|
||||
implicit none
|
||||
|
||||
! *** Precision of real and integer variables ***
|
||||
integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
|
||||
integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
|
||||
integer, parameter :: pLongInt = 8 ! should be 64bit
|
||||
|
||||
END MODULE prec
|
||||
|
||||
program voronoi
|
||||
use prec, only: pReal, pInt
|
||||
implicit none
|
||||
|
||||
logical, dimension(:), allocatable :: seedmap
|
||||
character(len=1024) filename
|
||||
integer(pInt), dimension(3) :: seedcoord
|
||||
integer(pInt), dimension(:), allocatable :: rndInit
|
||||
integer(pInt) a, b, c, N_Seeds, seedpoint, i, randomSeed, rndSize
|
||||
real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
|
||||
real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
|
||||
|
||||
print*, '******************************************************************************'
|
||||
print*, ' Voronoi description file'
|
||||
print*, '******************************************************************************'
|
||||
print*, '$Id$'
|
||||
print*, ''
|
||||
print*, 'generates:'
|
||||
print*, ' * description file "_OUTPUT_.seeds":'
|
||||
print*, ''
|
||||
write(*, '(A)', advance = 'NO') 'output seed filename: '
|
||||
read(*, *), filename
|
||||
write(*, '(A)', advance = 'NO') 'seed of random number generator: '
|
||||
read(*, *), randomSeed; randomSeed = max(0_pInt,randomSeed)
|
||||
write(*, '(A)', advance = 'NO') 'number of grains: '
|
||||
read(*, *), N_Seeds
|
||||
write(*, '(A)', advance = 'NO') 'min. Fourier points in x: '
|
||||
read(*, *), a
|
||||
write(*, '(A)', advance = 'NO') 'min. Fourier points in y: '
|
||||
read(*, *), b
|
||||
write(*, '(A)', advance = 'NO') 'min. Fourier points in z: '
|
||||
read(*, *), c
|
||||
|
||||
allocate (seedmap(a*b*c)); seedmap = .false. ! logical to store information which position is occupied by a voronoi seed
|
||||
allocate (seeds(N_Seeds,3))
|
||||
allocate (grainEuler(N_Seeds,3))
|
||||
|
||||
call random_seed(size=rndSize)
|
||||
allocate(rndInit(rndSize))
|
||||
rndInit = randomSeed
|
||||
call random_seed(put=rndInit)
|
||||
call random_seed(get=rndInit)
|
||||
|
||||
do i=1, N_Seeds
|
||||
call random_number(grainEuler(i,1))
|
||||
call random_number(grainEuler(i,2))
|
||||
call random_number(grainEuler(i,3))
|
||||
grainEuler(i,1) = (grainEuler(i,1))*360.0
|
||||
grainEuler(i,2) = acos(2.0_pReal*(grainEuler(i,2))-1.0_pReal)*180.0/pi
|
||||
grainEuler(i,3) = grainEuler(i,3)*360.0
|
||||
enddo
|
||||
|
||||
!generate random position of seeds for voronoi tessellation
|
||||
i = 1
|
||||
do while (i <= N_Seeds)
|
||||
call random_number(seeds(i,1)); seedcoord(1) = min(a,int(seeds(i,1)*a)+1_pInt)-1_pInt
|
||||
call random_number(seeds(i,2)); seedcoord(2) = min(b,int(seeds(i,2)*b)+1_pInt)-1_pInt
|
||||
call random_number(seeds(i,3)); seedcoord(3) = min(c,int(seeds(i,3)*c)+1_pInt)-1_pInt
|
||||
seedpoint = seedcoord(1) + seedcoord(2)*a + seedcoord(3)*a*b
|
||||
if (.not. seedmap(seedpoint+1)) then
|
||||
seedmap(seedpoint+1) = .true.
|
||||
i = i + 1
|
||||
end if
|
||||
end do
|
||||
|
||||
! write description file with orientation and position of each seed
|
||||
open(21, file = trim(filename)//('.seeds'))
|
||||
write(21, '(i1,a1,a6)') 4,achar(9),'header'
|
||||
write(21, '(A, I8, A, I8, A, I8)') 'resolution a ', a, ' b ', b, ' c ', c
|
||||
write(21, '(A, I8)') 'grains', N_Seeds
|
||||
write(21, '(A, I8)') 'random seed ',rndInit(1)
|
||||
write(21,'(6(a,a1))') 'x',achar(9),'y',achar(9),'z',achar(9),'phi1',achar(9),'Phi',achar(9),'phi2',achar(9)
|
||||
do i = 1, n_Seeds
|
||||
write(21, '(6(F10.6,a1))'),seeds(i,1), achar(9), seeds(i,2), achar(9), seeds(i,3), achar(9), &
|
||||
grainEuler(i,1),achar(9), grainEuler(i,2),achar(9), grainEuler(i,3),achar(9)
|
||||
end do
|
||||
close(21)
|
||||
deallocate (rndInit)
|
||||
end program voronoi
|
||||
|
|
|
|||
|
|
@ -1,365 +1,365 @@
|
|||
!prec.f90 407 2009-08-31 15:09:15Z MPIE\f.roters
|
||||
!##############################################################
|
||||
MODULE prec
|
||||
!##############################################################
|
||||
|
||||
implicit none
|
||||
|
||||
! *** Precision of real and integer variables ***
|
||||
integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
|
||||
integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
|
||||
integer, parameter :: pLongInt = 8 ! should be 64bit
|
||||
|
||||
END MODULE prec
|
||||
|
||||
!IO.f90 693 2010-11-04 18:18:01Z MPIE\c.kords
|
||||
!##############################################################
|
||||
MODULE IO
|
||||
!##############################################################
|
||||
|
||||
CONTAINS
|
||||
!********************************************************************
|
||||
! identifies lines without content
|
||||
!********************************************************************
|
||||
pure function IO_isBlank (line)
|
||||
|
||||
use prec, only: pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
character(len=*), parameter :: blank = achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
|
||||
character(len=*), parameter :: comment = achar(35) ! comment id '#'
|
||||
integer(pInt) posNonBlank, posComment
|
||||
logical IO_isBlank
|
||||
|
||||
posNonBlank = verify(line,blank)
|
||||
posComment = scan(line,comment)
|
||||
IO_isBlank = posNonBlank == 0 .or. posNonBlank == posComment
|
||||
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! read string value at pos from line
|
||||
!********************************************************************
|
||||
pure function IO_stringValue (line,positions,pos)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
integer(pInt), intent(in) :: positions(*),pos
|
||||
character(len=1+positions(pos*2+1)-positions(pos*2)) IO_stringValue
|
||||
|
||||
if (positions(1) < pos) then
|
||||
IO_stringValue = ''
|
||||
else
|
||||
IO_stringValue = line(positions(pos*2):positions(pos*2+1))
|
||||
endif
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! read float value at pos from line
|
||||
!********************************************************************
|
||||
pure function IO_floatValue (line,positions,pos)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
integer(pInt), intent(in) :: positions(*),pos
|
||||
real(pReal) IO_floatValue
|
||||
|
||||
if (positions(1) < pos) then
|
||||
IO_floatValue = 0.0_pReal
|
||||
else
|
||||
read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_floatValue
|
||||
endif
|
||||
return
|
||||
100 IO_floatValue = huge(1.0_pReal)
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! read int value at pos from line
|
||||
!********************************************************************
|
||||
pure function IO_intValue (line,positions,pos)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
integer(pInt), intent(in) :: positions(*),pos
|
||||
integer(pInt) IO_intValue
|
||||
|
||||
if (positions(1) < pos) then
|
||||
IO_intValue = 0_pInt
|
||||
else
|
||||
read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_intValue
|
||||
endif
|
||||
return
|
||||
100 IO_intValue = huge(1_pInt)
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! change character in line to lower case
|
||||
!********************************************************************
|
||||
pure function IO_lc (line)
|
||||
|
||||
use prec, only: pInt
|
||||
implicit none
|
||||
|
||||
character (len=*), intent(in) :: line
|
||||
character (len=len(line)) IO_lc
|
||||
integer(pInt) i
|
||||
|
||||
IO_lc = line
|
||||
do i=1,len(line)
|
||||
if(64<iachar(line(i:i)) .and. iachar(line(i:i))<91) IO_lc(i:i)=achar(iachar(line(i:i))+32)
|
||||
enddo
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! locate at most N space-separated parts in line
|
||||
! return array containing number of parts in line and
|
||||
! the left/right positions of at most N to be used by IO_xxxVal
|
||||
!********************************************************************
|
||||
! pure function IO_stringPos (line,N)
|
||||
function IO_stringPos (line,N)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
character(len=*), parameter :: sep=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
|
||||
integer(pInt), intent(in) :: N
|
||||
integer(pInt) left,right
|
||||
integer(pInt) IO_stringPos(1+N*2)
|
||||
|
||||
IO_stringPos = -1
|
||||
IO_stringPos(1) = 0
|
||||
right = 0
|
||||
|
||||
do while (verify(line(right+1:),sep)>0)
|
||||
left = right + verify(line(right+1:),sep)
|
||||
right = left + scan(line(left:),sep) - 2
|
||||
if ( IO_stringPos(1)<N ) then
|
||||
IO_stringPos(1+IO_stringPos(1)*2+1) = left
|
||||
IO_stringPos(1+IO_stringPos(1)*2+2) = right
|
||||
endif
|
||||
IO_stringPos(1) = IO_stringPos(1)+1
|
||||
enddo
|
||||
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
END MODULE
|
||||
|
||||
program voronoi
|
||||
use prec, only: pReal, pInt
|
||||
use IO
|
||||
implicit none
|
||||
|
||||
logical :: gotN_Seeds=.false., gotResolution = .false.
|
||||
logical, dimension(:), allocatable :: grainCheck
|
||||
character(len=1024) input_name, output_name, format1, format2, N_Digits, line, key
|
||||
integer(pInt) N_Seeds, theGrain, i, j, k, l, m
|
||||
integer(pInt), dimension (1+2*7) :: posGeom
|
||||
real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
|
||||
real(pReal), dimension(3) :: step,geomdim,delta
|
||||
integer(pInt), dimension(3) :: resolution
|
||||
logical, dimension(3) :: validDim
|
||||
real(pReal) minDist, theDist
|
||||
real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
|
||||
|
||||
print*, '******************************************************************************'
|
||||
print*, ' Spectral Method Problem Set-up'
|
||||
print*, '******************************************************************************'
|
||||
print*, '$Id$'
|
||||
print*, ''
|
||||
print*, 'generates:'
|
||||
print*, ' * geom file "_OUTPUT_.geom": Geometrical information for solver'
|
||||
print*, ' * material file "material.config": Orientation information for solver'
|
||||
print*, ' * "_OUTPUT_.spectral": combined information for solver'
|
||||
print*, ''
|
||||
write(*, '(A)', advance = 'NO') 'output filename: '
|
||||
read(*, *), output_name
|
||||
write(*, '(A)', advance = 'NO') 'seed input filename (w/o extension .seeds): '
|
||||
read(*, *), input_name
|
||||
|
||||
open(20, file = trim(input_name)//('.seeds'), status='old', action='read')
|
||||
rewind(20)
|
||||
do
|
||||
read(20,'(a1024)',END = 100) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posGeom = IO_stringPos(line,7)
|
||||
select case ( IO_lc(IO_StringValue(line,posGeom,1)) )
|
||||
case ('grains')
|
||||
gotN_Seeds = .true.
|
||||
N_Seeds = IO_intValue(line,posGeom,2)
|
||||
case ('resolution')
|
||||
gotResolution = .true.
|
||||
do i = 2,6,2
|
||||
select case (IO_lc(IO_stringValue(line,posGeom,i)))
|
||||
case('a')
|
||||
resolution(1) = IO_intValue(line,posGeom,i+1)
|
||||
case('b')
|
||||
resolution(2) = IO_intValue(line,posGeom,i+1)
|
||||
case('c')
|
||||
resolution(3) = IO_intValue(line,posGeom,i+1)
|
||||
end select
|
||||
enddo
|
||||
end select
|
||||
if (gotN_Seeds .and. gotResolution) exit
|
||||
enddo
|
||||
|
||||
100 allocate(grainEuler(N_Seeds,3))
|
||||
allocate(seeds(N_Seeds,3))
|
||||
allocate(grainCheck(N_Seeds))
|
||||
grainCheck = .false.
|
||||
|
||||
print*, 'resolution: ' ,resolution(1),resolution(2),resolution(3)
|
||||
write(*, '(A)', advance = 'NO') 'resolution in x: '
|
||||
read(*, *), resolution(1)
|
||||
write(*, '(A)', advance = 'NO') 'resolution in y: '
|
||||
read(*, *), resolution(2)
|
||||
write(*, '(A)', advance = 'NO') 'resolution in z: '
|
||||
read(*, *), resolution(3)
|
||||
|
||||
step(1) = 1.0_pReal/real(resolution(1),pReal)
|
||||
step(2) = 1.0_pReal/real(resolution(2),pReal)
|
||||
step(3) = 1.0_pReal/real(resolution(3),pReal)
|
||||
|
||||
write(*, '(A)', advance = 'NO') 'size in x: '
|
||||
read(*, *), geomdim(1)
|
||||
write(*, '(A)', advance = 'NO') 'size in y: '
|
||||
read(*, *), geomdim(2)
|
||||
write(*, '(A)', advance = 'NO') 'size in z: '
|
||||
read(*, *), geomdim(3)
|
||||
|
||||
rewind(20)
|
||||
read(20,'(a1024)') line
|
||||
posGeom = IO_stringPos(line,2)
|
||||
key = IO_stringValue(line,posGeom,2)
|
||||
if (IO_lc(key(1:4)) == 'head') then
|
||||
do i=1,IO_intValue(line,posGeom,1); read(20,'(a1024)') line; enddo
|
||||
else
|
||||
rewind(20)
|
||||
endif
|
||||
do i=1, N_seeds
|
||||
read(20,'(a1024)') line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posGeom = IO_stringPos(line,6) ! split line
|
||||
do j=1,3
|
||||
seeds(i,j) = IO_floatValue(line,posGeom,j)
|
||||
grainEuler(i,j) = IO_floatValue(line,posGeom,j+3)
|
||||
enddo
|
||||
enddo
|
||||
close(20)
|
||||
|
||||
!check dimensions, set dimension with 0 to smallest step of other dimensions
|
||||
validDim = .false.
|
||||
|
||||
do i = 1,3
|
||||
if(geomdim(i) .gt. 0.0) validDim(i) = .true.
|
||||
enddo
|
||||
|
||||
if(all(validDim .eqv. .false.)) then
|
||||
geomdim(maxval(maxloc(resolution))) = 1.0
|
||||
validDim(maxval(maxloc(resolution))) = .true.
|
||||
print*, 'no valid dimension specified, using automated setting'
|
||||
endif
|
||||
|
||||
do i=1,3
|
||||
if (validDim(i) .eqv. .false.) then
|
||||
print*, 'rescaling ivalid dimension' , i
|
||||
geomdim(i) = maxval(geomdim/real(resolution),validDim)*real(resolution(i))
|
||||
endif
|
||||
enddo
|
||||
! calculate No. of digits needed for name of the grains
|
||||
i = 1 + int( log10(real( N_Seeds )))
|
||||
write(N_Digits, *) i
|
||||
N_Digits = adjustl( N_Digits )
|
||||
|
||||
!write material.config header and add a microstructure entry for every grain
|
||||
open(20, file = trim(output_name)//('_material.config'))
|
||||
write(20, '(A)'), '<microstructure>'
|
||||
format1 = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
|
||||
format2 = '(A, I'//trim(N_Digits)//', A)'
|
||||
do i = 1, N_Seeds
|
||||
write(20, trim(format1)), '[Grain', i, ']'
|
||||
write(20, '(A)'), 'crystallite 1'
|
||||
write(20, trim(format2)), '(constituent) phase 1 texture ', i, ' fraction 1.0'
|
||||
end do
|
||||
|
||||
! get random euler angles for every grain, store them in grainEuler and write them to the material.config file
|
||||
format2 = '(6(A, F10.6))'
|
||||
write(20, '(/, A)'), '<texture>'
|
||||
do i = 1, N_Seeds
|
||||
write(20, trim(format1)), '[Grain', i, ']'
|
||||
write(20, trim(format2)), '(gauss) phi1 ', grainEuler(i,1), ' Phi ', grainEuler(i,2), &
|
||||
&' Phi2 ', grainEuler(i,3), ' scatter 0.0 fraction 1.0'
|
||||
end do
|
||||
close(20)
|
||||
print*, 'material.config done.'
|
||||
|
||||
!write header of geom file
|
||||
open(20, file = ((trim(output_name))//'.geom'))
|
||||
open(21, file = ((trim(output_name))//'.spectral'))
|
||||
write(20, '(A)'), '3 header'
|
||||
write(20, '(A, I8, A, I8, A, I8)'), 'resolution a ', resolution(1), ' b ', resolution(2), ' c ', resolution(3)
|
||||
write(20, '(A, g17.10, A, g17.10, A, g17.10)'), 'dimension x ', geomdim(1), ' y ', geomdim(2), ' z ', geomdim(3)
|
||||
write(20, '(A)'), 'homogenization 1'
|
||||
|
||||
format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')' ! geom format
|
||||
format2 = '(3(tr2, f6.2), 3(tr2,g10.5), I10, a)' ! spectral (Lebensohn) format
|
||||
|
||||
|
||||
! perform voronoi tessellation and write result to files
|
||||
do i = 0, resolution(1)*resolution(2)*resolution(3)-1
|
||||
minDist = geomdim(1)*geomdim(1)+geomdim(2)*geomdim(2)+geomdim(3)*geomdim(3) ! diagonal of rve
|
||||
do j = 1, N_Seeds
|
||||
delta(1) = step(1)*(mod(i , resolution(1))+0.5_pReal) - seeds(j,1)
|
||||
delta(2) = step(2)*(mod(i/resolution(1) , resolution(2))+0.5_pReal) - seeds(j,2)
|
||||
delta(3) = step(3)*(mod(i/resolution(1)/resolution(2), resolution(3))+0.5_pReal) - seeds(j,3)
|
||||
do k = -1, 1 ! left, me, right image
|
||||
do l = -1, 1 ! front, me, back image
|
||||
do m = -1, 1 ! lower, me, upper image
|
||||
theDist = ( geomdim(1) * ( delta(1)-real(k,pReal) ) )**2 + &
|
||||
( geomdim(2) * ( delta(2)-real(l,pReal) ) )**2 + &
|
||||
( geomdim(3) * ( delta(3)-real(m,pReal) ) )**2
|
||||
if (theDist < minDist) then
|
||||
minDist = theDist
|
||||
theGrain = j
|
||||
endif
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
grainCheck(theGrain) = .true.
|
||||
write(20, trim(format1)), theGrain
|
||||
write(21, trim(format2)), grainEuler(theGrain,1), grainEuler(theGrain,2), grainEuler(theGrain,3), &
|
||||
geomdim(1)*step(1)*(mod(i , resolution(1))+0.5_pReal), &
|
||||
geomdim(2)*step(2)*(mod(i/resolution(1) , resolution(2))+0.5_pReal), &
|
||||
geomdim(3)*step(3)*(mod(i/resolution(1)/resolution(2), resolution(3))+0.5_pReal), &
|
||||
theGrain, ' 1'
|
||||
enddo
|
||||
close(20)
|
||||
close(21)
|
||||
print*, 'voronoi tesselation done.'
|
||||
if (all(grainCheck)) then
|
||||
print*, 'all grains mapped!'
|
||||
else
|
||||
print*, 'only',count(grainCheck),'grains mapped!'
|
||||
endif
|
||||
|
||||
end program voronoi
|
||||
!prec.f90 407 2009-08-31 15:09:15Z MPIE\f.roters
|
||||
!##############################################################
|
||||
MODULE prec
|
||||
!##############################################################
|
||||
|
||||
implicit none
|
||||
|
||||
! *** Precision of real and integer variables ***
|
||||
integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
|
||||
integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
|
||||
integer, parameter :: pLongInt = 8 ! should be 64bit
|
||||
|
||||
END MODULE prec
|
||||
|
||||
!IO.f90 693 2010-11-04 18:18:01Z MPIE\c.kords
|
||||
!##############################################################
|
||||
MODULE IO
|
||||
!##############################################################
|
||||
|
||||
CONTAINS
|
||||
!********************************************************************
|
||||
! identifies lines without content
|
||||
!********************************************************************
|
||||
pure function IO_isBlank (line)
|
||||
|
||||
use prec, only: pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
character(len=*), parameter :: blank = achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
|
||||
character(len=*), parameter :: comment = achar(35) ! comment id '#'
|
||||
integer(pInt) posNonBlank, posComment
|
||||
logical IO_isBlank
|
||||
|
||||
posNonBlank = verify(line,blank)
|
||||
posComment = scan(line,comment)
|
||||
IO_isBlank = posNonBlank == 0 .or. posNonBlank == posComment
|
||||
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! read string value at pos from line
|
||||
!********************************************************************
|
||||
pure function IO_stringValue (line,positions,pos)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
integer(pInt), intent(in) :: positions(*),pos
|
||||
character(len=1+positions(pos*2+1)-positions(pos*2)) IO_stringValue
|
||||
|
||||
if (positions(1) < pos) then
|
||||
IO_stringValue = ''
|
||||
else
|
||||
IO_stringValue = line(positions(pos*2):positions(pos*2+1))
|
||||
endif
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! read float value at pos from line
|
||||
!********************************************************************
|
||||
pure function IO_floatValue (line,positions,pos)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
integer(pInt), intent(in) :: positions(*),pos
|
||||
real(pReal) IO_floatValue
|
||||
|
||||
if (positions(1) < pos) then
|
||||
IO_floatValue = 0.0_pReal
|
||||
else
|
||||
read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_floatValue
|
||||
endif
|
||||
return
|
||||
100 IO_floatValue = huge(1.0_pReal)
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! read int value at pos from line
|
||||
!********************************************************************
|
||||
pure function IO_intValue (line,positions,pos)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
integer(pInt), intent(in) :: positions(*),pos
|
||||
integer(pInt) IO_intValue
|
||||
|
||||
if (positions(1) < pos) then
|
||||
IO_intValue = 0_pInt
|
||||
else
|
||||
read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_intValue
|
||||
endif
|
||||
return
|
||||
100 IO_intValue = huge(1_pInt)
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! change character in line to lower case
|
||||
!********************************************************************
|
||||
pure function IO_lc (line)
|
||||
|
||||
use prec, only: pInt
|
||||
implicit none
|
||||
|
||||
character (len=*), intent(in) :: line
|
||||
character (len=len(line)) IO_lc
|
||||
integer(pInt) i
|
||||
|
||||
IO_lc = line
|
||||
do i=1,len(line)
|
||||
if(64<iachar(line(i:i)) .and. iachar(line(i:i))<91) IO_lc(i:i)=achar(iachar(line(i:i))+32)
|
||||
enddo
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
!********************************************************************
|
||||
! locate at most N space-separated parts in line
|
||||
! return array containing number of parts in line and
|
||||
! the left/right positions of at most N to be used by IO_xxxVal
|
||||
!********************************************************************
|
||||
! pure function IO_stringPos (line,N)
|
||||
function IO_stringPos (line,N)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
character(len=*), parameter :: sep=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
|
||||
integer(pInt), intent(in) :: N
|
||||
integer(pInt) left,right
|
||||
integer(pInt) IO_stringPos(1+N*2)
|
||||
|
||||
IO_stringPos = -1
|
||||
IO_stringPos(1) = 0
|
||||
right = 0
|
||||
|
||||
do while (verify(line(right+1:),sep)>0)
|
||||
left = right + verify(line(right+1:),sep)
|
||||
right = left + scan(line(left:),sep) - 2
|
||||
if ( IO_stringPos(1)<N ) then
|
||||
IO_stringPos(1+IO_stringPos(1)*2+1) = left
|
||||
IO_stringPos(1+IO_stringPos(1)*2+2) = right
|
||||
endif
|
||||
IO_stringPos(1) = IO_stringPos(1)+1
|
||||
enddo
|
||||
|
||||
return
|
||||
|
||||
endfunction
|
||||
|
||||
END MODULE
|
||||
|
||||
program voronoi
|
||||
use prec, only: pReal, pInt
|
||||
use IO
|
||||
implicit none
|
||||
|
||||
logical :: gotN_Seeds=.false., gotResolution = .false.
|
||||
logical, dimension(:), allocatable :: grainCheck
|
||||
character(len=1024) input_name, output_name, format1, format2, N_Digits, line, key
|
||||
integer(pInt) N_Seeds, theGrain, i, j, k, l, m
|
||||
integer(pInt), dimension (1+2*7) :: posGeom
|
||||
real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
|
||||
real(pReal), dimension(3) :: step,geomdim,delta
|
||||
integer(pInt), dimension(3) :: resolution
|
||||
logical, dimension(3) :: validDim
|
||||
real(pReal) minDist, theDist
|
||||
real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
|
||||
|
||||
print*, '******************************************************************************'
|
||||
print*, ' Spectral Method Problem Set-up'
|
||||
print*, '******************************************************************************'
|
||||
print*, '$Id$'
|
||||
print*, ''
|
||||
print*, 'generates:'
|
||||
print*, ' * geom file "_OUTPUT_.geom": Geometrical information for solver'
|
||||
print*, ' * material file "material.config": Orientation information for solver'
|
||||
print*, ' * "_OUTPUT_.spectral": combined information for solver'
|
||||
print*, ''
|
||||
write(*, '(A)', advance = 'NO') 'output filename: '
|
||||
read(*, *), output_name
|
||||
write(*, '(A)', advance = 'NO') 'seed input filename (w/o extension .seeds): '
|
||||
read(*, *), input_name
|
||||
|
||||
open(20, file = trim(input_name)//('.seeds'), status='old', action='read')
|
||||
rewind(20)
|
||||
do
|
||||
read(20,'(a1024)',END = 100) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posGeom = IO_stringPos(line,7)
|
||||
select case ( IO_lc(IO_StringValue(line,posGeom,1)) )
|
||||
case ('grains')
|
||||
gotN_Seeds = .true.
|
||||
N_Seeds = IO_intValue(line,posGeom,2)
|
||||
case ('resolution')
|
||||
gotResolution = .true.
|
||||
do i = 2,6,2
|
||||
select case (IO_lc(IO_stringValue(line,posGeom,i)))
|
||||
case('a')
|
||||
resolution(1) = IO_intValue(line,posGeom,i+1)
|
||||
case('b')
|
||||
resolution(2) = IO_intValue(line,posGeom,i+1)
|
||||
case('c')
|
||||
resolution(3) = IO_intValue(line,posGeom,i+1)
|
||||
end select
|
||||
enddo
|
||||
end select
|
||||
if (gotN_Seeds .and. gotResolution) exit
|
||||
enddo
|
||||
|
||||
100 allocate(grainEuler(N_Seeds,3))
|
||||
allocate(seeds(N_Seeds,3))
|
||||
allocate(grainCheck(N_Seeds))
|
||||
grainCheck = .false.
|
||||
|
||||
print*, 'resolution: ' ,resolution(1),resolution(2),resolution(3)
|
||||
write(*, '(A)', advance = 'NO') 'resolution in x: '
|
||||
read(*, *), resolution(1)
|
||||
write(*, '(A)', advance = 'NO') 'resolution in y: '
|
||||
read(*, *), resolution(2)
|
||||
write(*, '(A)', advance = 'NO') 'resolution in z: '
|
||||
read(*, *), resolution(3)
|
||||
|
||||
step(1) = 1.0_pReal/real(resolution(1),pReal)
|
||||
step(2) = 1.0_pReal/real(resolution(2),pReal)
|
||||
step(3) = 1.0_pReal/real(resolution(3),pReal)
|
||||
|
||||
write(*, '(A)', advance = 'NO') 'size in x: '
|
||||
read(*, *), geomdim(1)
|
||||
write(*, '(A)', advance = 'NO') 'size in y: '
|
||||
read(*, *), geomdim(2)
|
||||
write(*, '(A)', advance = 'NO') 'size in z: '
|
||||
read(*, *), geomdim(3)
|
||||
|
||||
rewind(20)
|
||||
read(20,'(a1024)') line
|
||||
posGeom = IO_stringPos(line,2)
|
||||
key = IO_stringValue(line,posGeom,2)
|
||||
if (IO_lc(key(1:4)) == 'head') then
|
||||
do i=1,IO_intValue(line,posGeom,1); read(20,'(a1024)') line; enddo
|
||||
else
|
||||
rewind(20)
|
||||
endif
|
||||
do i=1, N_seeds
|
||||
read(20,'(a1024)') line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posGeom = IO_stringPos(line,6) ! split line
|
||||
do j=1,3
|
||||
seeds(i,j) = IO_floatValue(line,posGeom,j)
|
||||
grainEuler(i,j) = IO_floatValue(line,posGeom,j+3)
|
||||
enddo
|
||||
enddo
|
||||
close(20)
|
||||
|
||||
!check dimensions, set dimension with 0 to smallest step of other dimensions
|
||||
validDim = .false.
|
||||
|
||||
do i = 1,3
|
||||
if(geomdim(i) .gt. 0.0) validDim(i) = .true.
|
||||
enddo
|
||||
|
||||
if(all(validDim .eqv. .false.)) then
|
||||
geomdim(maxval(maxloc(resolution))) = 1.0
|
||||
validDim(maxval(maxloc(resolution))) = .true.
|
||||
print*, 'no valid dimension specified, using automated setting'
|
||||
endif
|
||||
|
||||
do i=1,3
|
||||
if (validDim(i) .eqv. .false.) then
|
||||
print*, 'rescaling ivalid dimension' , i
|
||||
geomdim(i) = maxval(geomdim/real(resolution),validDim)*real(resolution(i))
|
||||
endif
|
||||
enddo
|
||||
! calculate No. of digits needed for name of the grains
|
||||
i = 1 + int( log10(real( N_Seeds )))
|
||||
write(N_Digits, *) i
|
||||
N_Digits = adjustl( N_Digits )
|
||||
|
||||
!write material.config header and add a microstructure entry for every grain
|
||||
open(20, file = trim(output_name)//('_material.config'))
|
||||
write(20, '(A)'), '<microstructure>'
|
||||
format1 = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
|
||||
format2 = '(A, I'//trim(N_Digits)//', A)'
|
||||
do i = 1, N_Seeds
|
||||
write(20, trim(format1)), '[Grain', i, ']'
|
||||
write(20, '(A)'), 'crystallite 1'
|
||||
write(20, trim(format2)), '(constituent) phase 1 texture ', i, ' fraction 1.0'
|
||||
end do
|
||||
|
||||
! get random euler angles for every grain, store them in grainEuler and write them to the material.config file
|
||||
format2 = '(6(A, F10.6))'
|
||||
write(20, '(/, A)'), '<texture>'
|
||||
do i = 1, N_Seeds
|
||||
write(20, trim(format1)), '[Grain', i, ']'
|
||||
write(20, trim(format2)), '(gauss) phi1 ', grainEuler(i,1), ' Phi ', grainEuler(i,2), &
|
||||
&' Phi2 ', grainEuler(i,3), ' scatter 0.0 fraction 1.0'
|
||||
end do
|
||||
close(20)
|
||||
print*, 'material.config done.'
|
||||
|
||||
!write header of geom file
|
||||
open(20, file = ((trim(output_name))//'.geom'))
|
||||
open(21, file = ((trim(output_name))//'.spectral'))
|
||||
write(20, '(A)'), '3 header'
|
||||
write(20, '(A, I8, A, I8, A, I8)'), 'resolution a ', resolution(1), ' b ', resolution(2), ' c ', resolution(3)
|
||||
write(20, '(A, g17.10, A, g17.10, A, g17.10)'), 'dimension x ', geomdim(1), ' y ', geomdim(2), ' z ', geomdim(3)
|
||||
write(20, '(A)'), 'homogenization 1'
|
||||
|
||||
format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')' ! geom format
|
||||
format2 = '(3(tr2, f6.2), 3(tr2,g10.5), I10, a)' ! spectral (Lebensohn) format
|
||||
|
||||
|
||||
! perform voronoi tessellation and write result to files
|
||||
do i = 0, resolution(1)*resolution(2)*resolution(3)-1
|
||||
minDist = geomdim(1)*geomdim(1)+geomdim(2)*geomdim(2)+geomdim(3)*geomdim(3) ! diagonal of rve
|
||||
do j = 1, N_Seeds
|
||||
delta(1) = step(1)*(mod(i , resolution(1))+0.5_pReal) - seeds(j,1)
|
||||
delta(2) = step(2)*(mod(i/resolution(1) , resolution(2))+0.5_pReal) - seeds(j,2)
|
||||
delta(3) = step(3)*(mod(i/resolution(1)/resolution(2), resolution(3))+0.5_pReal) - seeds(j,3)
|
||||
do k = -1, 1 ! left, me, right image
|
||||
do l = -1, 1 ! front, me, back image
|
||||
do m = -1, 1 ! lower, me, upper image
|
||||
theDist = ( geomdim(1) * ( delta(1)-real(k,pReal) ) )**2 + &
|
||||
( geomdim(2) * ( delta(2)-real(l,pReal) ) )**2 + &
|
||||
( geomdim(3) * ( delta(3)-real(m,pReal) ) )**2
|
||||
if (theDist < minDist) then
|
||||
minDist = theDist
|
||||
theGrain = j
|
||||
endif
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
grainCheck(theGrain) = .true.
|
||||
write(20, trim(format1)), theGrain
|
||||
write(21, trim(format2)), grainEuler(theGrain,1), grainEuler(theGrain,2), grainEuler(theGrain,3), &
|
||||
geomdim(1)*step(1)*(mod(i , resolution(1))+0.5_pReal), &
|
||||
geomdim(2)*step(2)*(mod(i/resolution(1) , resolution(2))+0.5_pReal), &
|
||||
geomdim(3)*step(3)*(mod(i/resolution(1)/resolution(2), resolution(3))+0.5_pReal), &
|
||||
theGrain, ' 1'
|
||||
enddo
|
||||
close(20)
|
||||
close(21)
|
||||
print*, 'voronoi tesselation done.'
|
||||
if (all(grainCheck)) then
|
||||
print*, 'all grains mapped!'
|
||||
else
|
||||
print*, 'only',count(grainCheck),'grains mapped!'
|
||||
endif
|
||||
|
||||
end program voronoi
|
||||
|
|
|
|||
Loading…
Reference in New Issue