Merge branch 'misc-improvements' into less-shell-scripts
This commit is contained in:
Martin Diehl
commit
908788271a
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@ -110,7 +110,7 @@ for executable in icc icpc ifort ;do
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done
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firstLevel "MPI Wrappers"
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for executable in mpicc mpiCC mpiicc mpic++ mpicpc mpicxx mpifort mpif90 mpif77; do
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for executable in mpicc mpiCC mpiicc mpic++ mpiicpc mpicxx mpifort mpiifort mpif90 mpif77; do
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getDetails $executable '-show'
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done
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2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 72d526e5750366a9efe4d1fd9d92e0d1ecd2cd38
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Subproject commit 8dde2a68538b7cffbe9d370e2b60be90a31627ab
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@ -1,6 +1,9 @@
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###################################################################################################
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# GNU Compiler
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###################################################################################################
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if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 8.0)
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message (FATAL_ERROR "GCC Compiler version: ${CMAKE_Fortran_COMPILER_VERSION} not supported")
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endif ()
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if (OPENMP)
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set (OPENMP_FLAGS "-fopenmp")
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@ -1,6 +1,10 @@
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###################################################################################################
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# Intel Compiler
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###################################################################################################
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if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 18.0)
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message (FATAL_ERROR "Intel Compiler version: ${CMAKE_Fortran_COMPILER_VERSION} not supported")
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endif ()
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if (OPENMP)
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set (OPENMP_FLAGS "-qopenmp -parallel")
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endif ()
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@ -1,4 +1,4 @@
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"""Main aggregator."""
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"""Tools for pre and post processing of DAMASK simulations."""
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import os as _os
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import re as _re
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@ -10,7 +10,6 @@ from . import VTK
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from . import util
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from . import Environment
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from . import grid_filters
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from . import Rotation
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class Geom:
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@ -243,7 +242,7 @@ class Geom:
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def get_grid(self):
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"""Return the grid discretization."""
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return np.array(self.microstructure.shape)
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return np.asarray(self.microstructure.shape)
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def get_homogenization(self):
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@ -605,7 +604,7 @@ class Geom:
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origin = self.origin-(np.asarray(microstructure_in.shape)-self.grid)*.5 * self.size/self.grid
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#self.add_comments('geom.py:renumber v{}'.format(version)
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#self.add_comments('geom.py:rotate v{}'.format(version)
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return self.update(microstructure_in,origin=origin,rescale=True)
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@ -613,11 +612,10 @@ class Geom:
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"""Crop or enlarge/pad microstructure."""
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if fill is None: fill = np.nanmax(self.microstructure) + 1
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if offset is None: offset = 0
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dtype = float if np.isnan(fill) or int(fill) != fill or self.microstructure.dtype==np.float else int
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dtype = float if int(fill) != fill or self.microstructure.dtype==np.float else int
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canvas = np.full(self.grid if grid is None else grid,
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fill if fill is not None else np.nanmax(self.microstructure)+1,
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self.microstructure.dtype)
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fill if fill is not None else np.nanmax(self.microstructure)+1,dtype)
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l = np.clip( offset, 0,np.minimum(self.grid +offset,grid)) # noqa
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r = np.clip( offset+self.grid,0,np.minimum(self.grid*2+offset,grid))
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@ -626,7 +624,7 @@ class Geom:
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canvas[l[0]:r[0],l[1]:r[1],l[2]:r[2]] = self.microstructure[L[0]:R[0],L[1]:R[1],L[2]:R[2]]
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#self.add_comments('geom.py:renumber v{}'.format(version)
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#self.add_comments('geom.py:canvas v{}'.format(version)
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return self.update(canvas,origin=self.origin+offset*self.size/self.grid,rescale=True)
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@ -636,4 +634,5 @@ class Geom:
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for from_ms,to_ms in zip(from_microstructure,to_microstructure):
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substituted[self.microstructure==from_ms] = to_ms
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#self.add_comments('geom.py:substitute v{}'.format(version)
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return self.update(substituted)
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@ -229,19 +229,20 @@ class Symmetry:
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Return inverse pole figure color if requested.
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Bases are computed from
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basis = {'cubic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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[1.,0.,1.]/np.sqrt(2.), # direction of green
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[1.,1.,1.]/np.sqrt(3.)]).T), # direction of blue
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'hexagonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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[1.,0.,0.], # direction of green
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[np.sqrt(3.),1.,0.]/np.sqrt(4.)]).T), # direction of blue
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'tetragonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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[1.,0.,0.], # direction of green
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[1.,1.,0.]/np.sqrt(2.)]).T), # direction of blue
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'orthorhombic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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[1.,0.,0.], # direction of green
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[0.,1.,0.]]).T), # direction of blue
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}
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>>> basis = {'cubic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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... [1.,0.,1.]/np.sqrt(2.), # direction of green
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... [1.,1.,1.]/np.sqrt(3.)]).T), # direction of blue
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... 'hexagonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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... [1.,0.,0.], # direction of green
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... [np.sqrt(3.),1.,0.]/np.sqrt(4.)]).T), # direction of blue
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... 'tetragonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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... [1.,0.,0.], # direction of green
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... [1.,1.,0.]/np.sqrt(2.)]).T), # direction of blue
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... 'orthorhombic': np.linalg.inv(np.array([[0.,0.,1.], # direction of red
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... [1.,0.,0.], # direction of green
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... [0.,1.,0.]]).T), # direction of blue
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... }
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"""
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if self.lattice == 'cubic':
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basis = {'improper':np.array([ [-1. , 0. , 1. ],
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@ -8,6 +8,7 @@ class Orientation:
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Crystallographic orientation.
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A crystallographic orientation contains a rotation and a lattice.
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"""
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__slots__ = ['rotation','lattice']
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@ -49,8 +50,10 @@ class Orientation:
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Disorientation between myself and given other orientation.
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Rotation axis falls into SST if SST == True.
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(Currently requires same symmetry for both orientations.
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Look into A. Heinz and P. Neumann 1991 for cases with differing sym.)
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Currently requires same symmetry for both orientations.
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Look into A. Heinz and P. Neumann 1991 for cases with differing sym.
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"""
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if self.lattice.symmetry != other.lattice.symmetry:
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raise NotImplementedError('disorientation between different symmetry classes not supported yet.')
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@ -1,7 +1,9 @@
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import multiprocessing
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import re
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import inspect
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import glob
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import os
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import datetime
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import xml.etree.ElementTree as ET
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import xml.dom.minidom
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from functools import partial
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@ -88,6 +90,8 @@ class Result:
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self.fname = os.path.abspath(fname)
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self._allow_overwrite = False
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def __repr__(self):
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"""Show selected data."""
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@ -142,6 +146,7 @@ class Result:
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choice = []
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for c in iterator:
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idx = np.searchsorted(self.times,c)
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if idx >= len(self.times): continue
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if np.isclose(c,self.times[idx]):
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choice.append(self.increments[idx])
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elif np.isclose(c,self.times[idx+1]):
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@ -162,6 +167,16 @@ class Result:
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self.selection[what] = diff_sorted
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def enable_overwrite(self):
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print(util.bcolors().WARNING,util.bcolors().BOLD,
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'Warning: Enabled overwrite of existing datasets!',
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util.bcolors().ENDC)
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self._allow_overwrite = True
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def disable_overwrite(self):
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self._allow_overwrite = False
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def incs_in_range(self,start,end):
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selected = []
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for i,inc in enumerate([int(i[3:]) for i in self.increments]):
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@ -322,9 +337,10 @@ class Result:
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Return groups that contain all requested datasets.
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Only groups within
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- inc?????/constituent/*_*/*
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- inc?????/materialpoint/*_*/*
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- inc?????/geometry/*
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- inc*/constituent/*/*
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- inc*/materialpoint/*/*
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- inc*/geometry/*
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are considered as they contain user-relevant data.
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Single strings will be treated as list with one entry.
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@ -488,7 +504,7 @@ class Result:
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'meta': {
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'Unit': x['meta']['Unit'],
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'Description': 'Absolute value of {} ({})'.format(x['label'],x['meta']['Description']),
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'Creator': 'result.py:add_abs v{}'.format(version)
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'Creator': inspect.stack()[0][3][1:]
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}
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}
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def add_absolute(self,x):
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@ -516,7 +532,7 @@ class Result:
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'meta': {
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'Unit': kwargs['unit'],
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'Description': '{} (formula: {})'.format(kwargs['description'],kwargs['formula']),
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'Creator': 'result.py:add_calculation v{}'.format(version)
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'Creator': inspect.stack()[0][3][1:]
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}
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}
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def add_calculation(self,label,formula,unit='n/a',description=None,vectorized=True):
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@ -555,7 +571,7 @@ class Result:
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'Description': 'Cauchy stress calculated from {} ({}) '.format(P['label'],
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P['meta']['Description'])+\
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'and {} ({})'.format(F['label'],F['meta']['Description']),
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'Creator': 'result.py:add_Cauchy v{}'.format(version)
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'Creator': inspect.stack()[0][3][1:]
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}
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}
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def add_Cauchy(self,P='P',F='F'):
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@ -581,7 +597,7 @@ class Result:
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'meta': {
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'Unit': T['meta']['Unit'],
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'Description': 'Determinant of tensor {} ({})'.format(T['label'],T['meta']['Description']),
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'Creator': 'result.py:add_determinant v{}'.format(version)
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'Creator': inspect.stack()[0][3][1:]
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}
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}
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def add_determinant(self,T):
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@ -605,7 +621,7 @@ class Result:
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'meta': {
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'Unit': T['meta']['Unit'],
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'Description': 'Deviator of tensor {} ({})'.format(T['label'],T['meta']['Description']),
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'Creator': 'result.py:add_deviator v{}'.format(version)
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'Creator': inspect.stack()[0][3][1:]
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}
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}
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def add_deviator(self,T):
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@ -629,7 +645,7 @@ class Result:
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'meta' : {
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'Unit': T_sym['meta']['Unit'],
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'Description': 'Eigenvalues of {} ({})'.format(T_sym['label'],T_sym['meta']['Description']),
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'Creator': 'result.py:add_eigenvalues v{}'.format(version)
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'Creator': inspect.stack()[0][3][1:]
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}
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}
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def add_eigenvalues(self,T_sym):
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|
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@ -653,7 +669,7 @@ class Result:
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'meta' : {
|
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'Unit': '1',
|
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'Description': 'Eigenvectors of {} ({})'.format(T_sym['label'],T_sym['meta']['Description']),
|
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'Creator': 'result.py:add_eigenvectors v{}'.format(version)
|
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'Creator': inspect.stack()[0][3][1:]
|
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}
|
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}
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def add_eigenvectors(self,T_sym):
|
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|
|
@ -689,7 +705,7 @@ class Result:
|
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'Unit': 'RGB (8bit)',
|
||||
'Lattice': lattice,
|
||||
'Description': 'Inverse Pole Figure (IPF) colors along sample direction [{} {} {}]'.format(*m),
|
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'Creator': 'result.py:add_IPFcolor v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
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}
|
||||
}
|
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def add_IPFcolor(self,q,l):
|
||||
|
|
@ -715,7 +731,7 @@ class Result:
|
|||
'meta': {
|
||||
'Unit': T_sym['meta']['Unit'],
|
||||
'Description': 'Maximum shear component of {} ({})'.format(T_sym['label'],T_sym['meta']['Description']),
|
||||
'Creator': 'result.py:add_maximum_shear v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
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def add_maximum_shear(self,T_sym):
|
||||
|
|
@ -742,7 +758,7 @@ class Result:
|
|||
'meta': {
|
||||
'Unit': T_sym['meta']['Unit'],
|
||||
'Description': 'Mises equivalent {} of {} ({})'.format(t,T_sym['label'],T_sym['meta']['Description']),
|
||||
'Creator': 'result.py:add_Mises v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_Mises(self,T_sym):
|
||||
|
|
@ -778,7 +794,7 @@ class Result:
|
|||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': '{}-norm of {} {} ({})'.format(o,t,x['label'],x['meta']['Description']),
|
||||
'Creator': 'result.py:add_norm v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_norm(self,x,ord=None):
|
||||
|
|
@ -806,7 +822,7 @@ class Result:
|
|||
'Description': '2. Kirchhoff stress calculated from {} ({}) '.format(P['label'],
|
||||
P['meta']['Description'])+\
|
||||
'and {} ({})'.format(F['label'],F['meta']['Description']),
|
||||
'Creator': 'result.py:add_PK2 v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_PK2(self,P='P',F='F'):
|
||||
|
|
@ -842,7 +858,7 @@ class Result:
|
|||
'Unit': '1',
|
||||
'Description': '{} coordinates of stereographic projection of pole (direction/plane) in crystal frame'\
|
||||
.format('Polar' if polar else 'Cartesian'),
|
||||
'Creator' : 'result.py:add_pole v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_pole(self,q,p,polar=False):
|
||||
|
|
@ -870,7 +886,7 @@ class Result:
|
|||
'meta': {
|
||||
'Unit': F['meta']['Unit'],
|
||||
'Description': 'Rotational part of {} ({})'.format(F['label'],F['meta']['Description']),
|
||||
'Creator': 'result.py:add_rotational_part v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_rotational_part(self,F):
|
||||
|
|
@ -894,7 +910,7 @@ class Result:
|
|||
'meta': {
|
||||
'Unit': T['meta']['Unit'],
|
||||
'Description': 'Spherical component of tensor {} ({})'.format(T['label'],T['meta']['Description']),
|
||||
'Creator': 'result.py:add_spherical v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_spherical(self,T):
|
||||
|
|
@ -918,7 +934,7 @@ class Result:
|
|||
'meta': {
|
||||
'Unit': F['meta']['Unit'],
|
||||
'Description': 'Strain tensor of {} ({})'.format(F['label'],F['meta']['Description']),
|
||||
'Creator': 'result.py:add_strain_tensor v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_strain_tensor(self,F='F',t='V',m=0.0):
|
||||
|
|
@ -950,7 +966,7 @@ class Result:
|
|||
'Unit': F['meta']['Unit'],
|
||||
'Description': '{} stretch tensor of {} ({})'.format('Left' if t == 'V' else 'Right',
|
||||
F['label'],F['meta']['Description']),
|
||||
'Creator': 'result.py:add_stretch_tensor v{}'.format(version)
|
||||
'Creator': inspect.stack()[0][3][1:]
|
||||
}
|
||||
}
|
||||
def add_stretch_tensor(self,F='F',t='V'):
|
||||
|
|
@ -1013,11 +1029,23 @@ class Result:
|
|||
continue
|
||||
lock.acquire()
|
||||
with h5py.File(self.fname, 'a') as f:
|
||||
try: # ToDo: Replace if exists?
|
||||
try:
|
||||
if self._allow_overwrite and result[0]+'/'+result[1]['label'] in f:
|
||||
dataset = f[result[0]+'/'+result[1]['label']]
|
||||
dataset[...] = result[1]['data']
|
||||
dataset.attrs['Overwritten'] = 'Yes'.encode()
|
||||
else:
|
||||
dataset = f[result[0]].create_dataset(result[1]['label'],data=result[1]['data'])
|
||||
|
||||
now = datetime.datetime.now().astimezone()
|
||||
dataset.attrs['Created'] = now.strftime('%Y-%m-%d %H:%M:%S%z').encode()
|
||||
|
||||
for l,v in result[1]['meta'].items():
|
||||
dataset.attrs[l]=v.encode()
|
||||
except OSError as err:
|
||||
creator = 'damask.Result.{} v{}'.format(dataset.attrs['Creator'].decode(),version)
|
||||
dataset.attrs['Creator'] = creator.encode()
|
||||
|
||||
except (OSError,RuntimeError) as err:
|
||||
print('Could not add dataset: {}.'.format(err))
|
||||
lock.release()
|
||||
|
||||
|
|
|
|||
|
|
@ -13,30 +13,31 @@ class Rotation:
|
|||
u"""
|
||||
Orientation stored with functionality for conversion to different representations.
|
||||
|
||||
The following conventions apply:
|
||||
|
||||
- coordinate frames are right-handed.
|
||||
- a rotation angle ω is taken to be positive for a counterclockwise rotation
|
||||
when viewing from the end point of the rotation axis towards the origin.
|
||||
- rotations will be interpreted in the passive sense.
|
||||
- Euler angle triplets are implemented using the Bunge convention,
|
||||
with the angular ranges as [0, 2π],[0, π],[0, 2π].
|
||||
- the rotation angle ω is limited to the interval [0, π].
|
||||
- the real part of a quaternion is positive, Re(q) > 0
|
||||
- P = -1 (as default).
|
||||
|
||||
Examples
|
||||
--------
|
||||
Rotate vector "a" (defined in coordinate system "A") to
|
||||
coordinates "b" expressed in system "B":
|
||||
|
||||
- b = Q @ a
|
||||
- b = np.dot(Q.asMatrix(),a)
|
||||
|
||||
References
|
||||
----------
|
||||
D. Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015
|
||||
https://doi.org/10.1088/0965-0393/23/8/083501
|
||||
|
||||
Conventions
|
||||
-----------
|
||||
Convention 1: Coordinate frames are right-handed.
|
||||
Convention 2: A rotation angle ω is taken to be positive for a counterclockwise rotation
|
||||
when viewing from the end point of the rotation axis towards the origin.
|
||||
Convention 3: Rotations will be interpreted in the passive sense.
|
||||
Convention 4: Euler angle triplets are implemented using the Bunge convention,
|
||||
with the angular ranges as [0, 2π],[0, π],[0, 2π].
|
||||
Convention 5: The rotation angle ω is limited to the interval [0, π].
|
||||
Convention 6: the real part of a quaternion is positive, Re(q) > 0
|
||||
Convention 7: P = -1 (as default).
|
||||
|
||||
Usage
|
||||
-----
|
||||
Vector "a" (defined in coordinate system "A") is passively rotated
|
||||
resulting in new coordinates "b" when expressed in system "B".
|
||||
b = Q @ a
|
||||
b = np.dot(Q.as_matrix(),a)
|
||||
|
||||
"""
|
||||
|
||||
__slots__ = ['quaternion']
|
||||
|
|
@ -161,10 +162,10 @@ class Rotation:
|
|||
if self.shape == ():
|
||||
q = np.broadcast_to(self.quaternion,shape+(4,))
|
||||
else:
|
||||
q = np.block([np.broadcast_to(self.quaternion[...,0:1],shape),
|
||||
np.broadcast_to(self.quaternion[...,1:2],shape),
|
||||
np.broadcast_to(self.quaternion[...,2:3],shape),
|
||||
np.broadcast_to(self.quaternion[...,3:4],shape)]).reshape(shape+(4,))
|
||||
q = np.block([np.broadcast_to(self.quaternion[...,0:1],shape).reshape(shape+(1,)),
|
||||
np.broadcast_to(self.quaternion[...,1:2],shape).reshape(shape+(1,)),
|
||||
np.broadcast_to(self.quaternion[...,2:3],shape).reshape(shape+(1,)),
|
||||
np.broadcast_to(self.quaternion[...,3:4],shape).reshape(shape+(1,))])
|
||||
return self.__class__(q)
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -120,9 +120,9 @@ class VTK:
|
|||
Parameters
|
||||
----------
|
||||
fname : str
|
||||
Filename for reading. Valid extensions are *.vtr, *.vtu, *.vtp, and *.vtk.
|
||||
Filename for reading. Valid extensions are .vtr, .vtu, .vtp, and .vtk.
|
||||
dataset_type : str, optional
|
||||
Name of the vtk.vtkDataSet subclass when opening an *.vtk file. Valid types are vtkRectilinearGrid,
|
||||
Name of the vtk.vtkDataSet subclass when opening an .vtk file. Valid types are vtkRectilinearGrid,
|
||||
vtkUnstructuredGrid, and vtkPolyData.
|
||||
|
||||
"""
|
||||
|
|
|
|||
|
|
@ -4,14 +4,13 @@ import pytest
|
|||
import numpy as np
|
||||
|
||||
from damask import Symmetry
|
||||
from damask import Lattice
|
||||
|
||||
class TestSymmetry:
|
||||
|
||||
@pytest.mark.parametrize('invalid_symmetry',['fcc','bcc','hello'])
|
||||
def test_invalid_symmetry(self,invalid_symmetry):
|
||||
with pytest.raises(KeyError):
|
||||
s = Symmetry(invalid_symmetry)
|
||||
s = Symmetry(invalid_symmetry) # noqa
|
||||
|
||||
def test_equal(self):
|
||||
symmetry = random.choice(Symmetry.lattices)
|
||||
|
|
@ -37,6 +36,6 @@ class TestSymmetry:
|
|||
|
||||
@pytest.mark.parametrize('function',['inFZ','inDisorientationSST'])
|
||||
def test_invalid_argument(self,function):
|
||||
s = Symmetry()
|
||||
s = Symmetry() # noqa
|
||||
with pytest.raises(ValueError):
|
||||
eval('s.{}(np.ones(4))'.format(function))
|
||||
|
|
|
|||
|
|
@ -1,8 +1,11 @@
|
|||
import time
|
||||
import shutil
|
||||
import os
|
||||
from datetime import datetime
|
||||
|
||||
import pytest
|
||||
import numpy as np
|
||||
import h5py
|
||||
|
||||
import damask
|
||||
from damask import Result
|
||||
|
|
@ -80,10 +83,6 @@ class TestResult:
|
|||
with pytest.raises(AttributeError):
|
||||
default.pick('invalid',True)
|
||||
|
||||
def test_add_invalid(self,default):
|
||||
with pytest.raises(Exception):
|
||||
default.add_calculation('#invalid#*2')
|
||||
|
||||
def test_add_absolute(self,default):
|
||||
default.add_absolute('Fe')
|
||||
loc = {'Fe': default.get_dataset_location('Fe'),
|
||||
|
|
@ -263,6 +262,37 @@ class TestResult:
|
|||
in_file = default.read_dataset(loc['V(F)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_invalid(self,default):
|
||||
with pytest.raises(TypeError):
|
||||
default.add_calculation('#invalid#*2')
|
||||
|
||||
@pytest.mark.parametrize('overwrite',['off','on'])
|
||||
def test_add_overwrite(self,default,overwrite):
|
||||
default.pick('times',default.times_in_range(0,np.inf)[-1])
|
||||
|
||||
default.add_Cauchy()
|
||||
loc = default.get_dataset_location('sigma')
|
||||
print(loc)
|
||||
with h5py.File(default.fname,'r') as f:
|
||||
created_first = f[loc[0]].attrs['Created'].decode()
|
||||
created_first = datetime.strptime(created_first,'%Y-%m-%d %H:%M:%S%z')
|
||||
|
||||
if overwrite == 'on':
|
||||
default.enable_overwrite()
|
||||
else:
|
||||
default.disable_overwrite()
|
||||
|
||||
time.sleep(2.)
|
||||
default.add_calculation('sigma','#sigma#*0.0+311.','not the Cauchy stress')
|
||||
with h5py.File(default.fname,'r') as f:
|
||||
created_second = f[loc[0]].attrs['Created'].decode()
|
||||
created_second = datetime.strptime(created_second,'%Y-%m-%d %H:%M:%S%z')
|
||||
if overwrite == 'on':
|
||||
assert created_first < created_second and np.allclose(default.read_dataset(loc),311.)
|
||||
else:
|
||||
assert created_first == created_second and not np.allclose(default.read_dataset(loc),311.)
|
||||
|
||||
@pytest.mark.parametrize('output',['F',[],['F','P']])
|
||||
def test_vtk(self,default,output):
|
||||
def test_vtk(self,tmp_path,default,output):
|
||||
os.chdir(tmp_path)
|
||||
default.to_vtk(output)
|
||||
|
|
|
|||
|
|
@ -873,7 +873,7 @@ class TestRotation:
|
|||
rot.shape + (np.random.randint(8,32),)
|
||||
rot_broadcast = rot.broadcast_to(tuple(new_shape))
|
||||
for i in range(rot_broadcast.shape[-1]):
|
||||
assert (rot_broadcast.quaternion[...,i,:], rot.quaternion)
|
||||
assert np.allclose(rot_broadcast.quaternion[...,i,:], rot.quaternion)
|
||||
|
||||
|
||||
@pytest.mark.parametrize('function,invalid',[(Rotation.from_quaternion, np.array([-1,0,0,0])),
|
||||
|
|
|
|||
|
|
@ -9,8 +9,6 @@
|
|||
!> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
|
||||
!> and working directory.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
#define GCC_MIN 6
|
||||
#define INTEL_MIN 1700
|
||||
#define PETSC_MAJOR 3
|
||||
#define PETSC_MINOR_MIN 10
|
||||
#define PETSC_MINOR_MAX 13
|
||||
|
|
@ -50,29 +48,6 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine DAMASK_interface_init
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
#if defined(__GFORTRAN__) && __GNUC__<GCC_MIN
|
||||
===================================================================================================
|
||||
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
|
||||
===================================================================================================
|
||||
=============== THIS VERSION OF DAMASK REQUIRES A NEWER gfortran VERSION ======================
|
||||
================== THIS VERSION OF DAMASK REQUIRES A NEWER gfortran VERSION ===================
|
||||
===================== THIS VERSION OF DAMASK REQUIRES A NEWER gfortran VERSION ================
|
||||
===================================================================================================
|
||||
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
|
||||
===================================================================================================
|
||||
#endif
|
||||
|
||||
#if defined(__INTEL_COMPILER) && __INTEL_COMPILER<INTEL_MIN
|
||||
===================================================================================================
|
||||
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
|
||||
===================================================================================================
|
||||
================= THIS VERSION OF DAMASK REQUIRES A NEWER ifort VERSION =======================
|
||||
==================== THIS VERSION OF DAMASK REQUIRES A NEWER ifort VERSION ====================
|
||||
======================= THIS VERSION OF DAMASK REQUIRES A NEWER ifort VERSION =================
|
||||
===================================================================================================
|
||||
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
|
||||
===================================================================================================
|
||||
#endif
|
||||
|
||||
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR<PETSC_MINOR_MIN || PETSC_VERSION_MINOR>PETSC_MINOR_MAX
|
||||
===================================================================================================
|
||||
|
|
|
|||
|
|
@ -311,6 +311,8 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
|
|||
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Created',now(),label)
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
|
||||
end subroutine results_writeScalarDataset_real
|
||||
|
|
@ -340,6 +342,8 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
|
|||
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Created',now(),label)
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
|
||||
end subroutine results_writeVectorDataset_real
|
||||
|
|
@ -391,6 +395,8 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
|
|||
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Created',now(),label)
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
|
||||
end subroutine results_writeTensorDataset_real
|
||||
|
|
@ -421,6 +427,8 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
|
|||
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Created',now(),label)
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
|
||||
end subroutine results_writeVectorDataset_int
|
||||
|
|
@ -451,6 +459,8 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
|
|||
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Created',now(),label)
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
|
||||
end subroutine results_writeTensorDataset_int
|
||||
|
|
@ -481,6 +491,8 @@ subroutine results_writeScalarDataset_rotation(group,dataset,label,description,l
|
|||
call HDF5_addAttribute(groupHandle,'Lattice',lattice_structure,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Created',now(),label)
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
|
||||
end subroutine results_writeScalarDataset_rotation
|
||||
|
|
@ -756,6 +768,21 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
|
|||
end subroutine results_mapping_materialpoint
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief current date and time (including time zone information)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
character(len=24) function now()
|
||||
|
||||
character(len=5) :: zone
|
||||
integer, dimension(8) :: values
|
||||
|
||||
call date_and_time(values=values,zone=zone)
|
||||
write(now,'(i4.4,5(a,i2.2),a)') &
|
||||
values(1),'-',values(2),'-',values(3),' ',values(5),':',values(6),':',values(7),zone
|
||||
|
||||
end function now
|
||||
|
||||
|
||||
!!--------------------------------------------------------------------------------------------------
|
||||
!!> @brief adds the backward mapping from spatial position and constituent ID to results
|
||||
!!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
Loading…
Reference in New Issue