diff --git a/src/C_routines.c b/src/C_routines.c index 3a1db91a0..a25fde688 100644 --- a/src/C_routines.c +++ b/src/C_routines.c @@ -88,7 +88,7 @@ void inflate_c(const uLong *s_deflated, const uLong *s_inflated, const Byte defl #ifdef FYAML void to_flow_c(char **flow, int* length_flow, const char *mixed){ struct fy_document *fyd = NULL; - enum fy_emitter_cfg_flags emit_flags = FYECF_MODE_FLOW_ONELINE | FYECF_STRIP_LABELS | FYECF_STRIP_DOC; + enum fy_emitter_cfg_flags emit_flags = FYECF_MODE_FLOW_ONELINE | FYECF_STRIP_LABELS | FYECF_STRIP_TAGS |FYECF_STRIP_DOC; fyd = fy_document_build_from_string(NULL, mixed, -1); if (!fyd) { diff --git a/src/YAML_parse.f90 b/src/YAML_parse.f90 index e589758c9..bfce06bc9 100644 --- a/src/YAML_parse.f90 +++ b/src/YAML_parse.f90 @@ -83,7 +83,7 @@ recursive function parse_flow(YAML_flow) result(node) s, & ! start position of dictionary or list d ! position of key: value separator (':') - flow_string = trim(adjustl(YAML_flow(:))) + flow_string = trim(adjustl(YAML_flow)) if (len_trim(flow_string) == 0) then node => emptyDict return @@ -168,8 +168,11 @@ logical function quotedString(line) character(len=*), intent(in) :: line + quotedString = .false. + if (len(line) == 0) return + if (scan(line(:1),IO_QUOTES) == 1) then quotedString = .true. if(line(len(line):len(line)) /= line(:1)) call IO_error(710,ext_msg=line) @@ -198,7 +201,7 @@ function to_flow(mixed) result(flow) block character(len=strlen,kind=c_char), pointer :: s call c_f_pointer(str_ptr,s) - flow = s + flow = s(:len(s)-1) end block call free_C(str_ptr) diff --git a/src/YAML_types.f90 b/src/YAML_types.f90 index d7ca71cbb..857b24bd0 100644 --- a/src/YAML_types.f90 +++ b/src/YAML_types.f90 @@ -119,7 +119,8 @@ module YAML_types type, extends(tNode), public :: tList - class(tItem), pointer :: first => NULL() + class(tItem), pointer :: first => NULL(), & + last => NULL() contains procedure :: asFormattedString => tList_asFormattedString @@ -144,7 +145,7 @@ module YAML_types end type tDict - type :: tItem + type, public :: tItem character(len=:), allocatable :: key class(tNode), pointer :: node => NULL() class(tItem), pointer :: next => NULL() @@ -1348,15 +1349,13 @@ subroutine tList_append(self,node) type(tItem), pointer :: item if (.not. associated(self%first)) then - allocate(self%first) - item => self%first + allocate(item) + self%first => item + self%last => item else - item => self%first - do while (associated(item%next)) - item => item%next - enddo - allocate(item%next) - item => item%next + allocate(self%last%next) + item => self%last%next + self%last => item end if item%node => node diff --git a/src/material.f90 b/src/material.f90 index 3ff280b0d..2258c40a1 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -91,9 +91,13 @@ subroutine parse() homogenizations, & homogenization + class(tItem), pointer :: item integer, dimension(:), allocatable :: & counterPhase, & - counterHomogenization + counterHomogenization, & + ho_of + integer, dimension(:,:), allocatable :: ph_of + real(pReal), dimension(:,:), allocatable :: v_of real(pReal) :: v integer :: & @@ -102,11 +106,14 @@ subroutine parse() co, ce, & ma + materials => config_material%get('material') phases => config_material%get('phase') homogenizations => config_material%get('homogenization') - call sanityCheck(materials, homogenizations) + + if (maxval(discretization_materialAt) > materials%length) & + call IO_error(155,ext_msg='More materials requested than found in material.yaml') #if defined (__GFORTRAN__) material_name_phase = getKeys(phases) @@ -123,6 +130,49 @@ subroutine parse() end do homogenization_maxNconstituents = maxval(homogenization_Nconstituents) + allocate(material_v(homogenization_maxNconstituents,discretization_Ncells),source=0.0_pReal) + + allocate(material_O_0(materials%length)) + allocate(material_F_i_0(materials%length)) + + allocate(ho_of(materials%length)) + allocate(ph_of(materials%length,homogenization_maxNconstituents),source=-1) + allocate( v_of(materials%length,homogenization_maxNconstituents),source=0.0_pReal) + + ! parse YAML structure + select type(materials) + + class is(tList) + + item => materials%first + do ma = 1, materials%length + material => item%node + ho_of(ma) = homogenizations%getIndex(material%get_asString('homogenization')) + constituents => material%get('constituents') + + homogenization => homogenizations%get(ho_of(ma)) + if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148) + + allocate(material_O_0(ma)%data(constituents%length)) + allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length)) + + do co = 1, constituents%length + constituent => constituents%get(co) + v_of(ma,co) = constituent%get_asFloat('v') + ph_of(ma,co) = phases%getIndex(constituent%get_asString('phase')) + + call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4)) + material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3]) + + end do + if (dNeq(sum(v_of(ma,:)),1.0_pReal,1.e-9_pReal)) call IO_error(153,ext_msg='constituent') + + item => item%next + end do + + end select + + allocate(counterPhase(phases%length),source=0) allocate(counterHomogenization(homogenizations%length),source=0) @@ -132,12 +182,13 @@ subroutine parse() allocate(material_phaseID(homogenization_maxNconstituents,discretization_Ncells),source=0) allocate(material_phaseEntry(homogenization_maxNconstituents,discretization_Ncells),source=0) - allocate(material_v(homogenization_maxNconstituents,discretization_Ncells),source=0.0_pReal) + ! build mappings do el = 1, discretization_Nelems - material => materials%get(discretization_materialAt(el)) - ho = homogenizations%getIndex(material%get_asString('homogenization')) + ma = discretization_materialAt(el) + ho = ho_of(ma) + do ip = 1, discretization_nIPs ce = (el-1)*discretization_nIPs + ip material_homogenizationID(ce) = ho @@ -145,13 +196,11 @@ subroutine parse() material_homogenizationEntry(ce) = counterHomogenization(ho) end do - constituents => material%get('constituents') - do co = 1, constituents%length - constituent => constituents%get(co) + do co = 1, size(ph_of(ma,:)>0) - v = constituent%get_asFloat('v') + v = v_of(ma,co) + ph = ph_of(ma,co) - ph = phases%getIndex(constituent%get_asString('phase')) do ip = 1, discretization_nIPs ce = (el-1)*discretization_nIPs + ip material_phaseID(co,ce) = ph @@ -161,54 +210,11 @@ subroutine parse() end do end do - if (dNeq(sum(material_v(1:constituents%length,ce)),1.0_pReal,1.e-9_pReal)) & - call IO_error(153,ext_msg='constituent') - end do - allocate(material_O_0(materials%length)) - allocate(material_F_i_0(materials%length)) - - do ma = 1, materials%length - material => materials%get(ma) - constituents => material%get('constituents') - allocate(material_O_0(ma)%data(constituents%length)) - allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length)) - do co = 1, constituents%length - constituent => constituents%get(co) - call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4)) - material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3]) - enddo - enddo - end subroutine parse -!-------------------------------------------------------------------------------------------------- -!> @brief Check if material.yaml is consistent and contains sufficient # of materials -!-------------------------------------------------------------------------------------------------- -subroutine sanityCheck(materials,homogenizations) - - class(tNode), intent(in) :: materials, & - homogenizations - - class(tNode), pointer :: material, & - homogenization, & - constituents - integer :: m - - if (maxval(discretization_materialAt) > materials%length) & - call IO_error(155,ext_msg='More materials requested than found in material.yaml') - - do m = 1, materials%length - material => materials%get(m) - constituents => material%get('constituents') - homogenization => homogenizations%get(material%get_asString('homogenization')) - if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148) - end do - -end subroutine sanityCheck - #if defined (__GFORTRAN__) !-------------------------------------------------------------------------------------------------- !> @brief %keys() is broken on gfortran