get rid of shell scripts

This commit is contained in:
Martin Diehl 2020-09-30 07:10:15 +02:00
parent e1d459aab8
commit 54e4943353
3 changed files with 55 additions and 19 deletions

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@ -4,8 +4,6 @@ import os
import sys import sys
from optparse import OptionParser from optparse import OptionParser
import numpy as np
import damask import damask
@ -15,13 +13,6 @@ scriptID = ' '.join([scriptName,damask.version])
minimal_surfaces = ['primitive','gyroid','diamond'] minimal_surfaces = ['primitive','gyroid','diamond']
surface = {
'primitive': lambda x,y,z: np.cos(x)+np.cos(y)+np.cos(z),
'gyroid': lambda x,y,z: np.sin(x)*np.cos(y)+np.sin(y)*np.cos(z)+np.cos(x)*np.sin(z),
'diamond': lambda x,y,z: np.cos(x-y)*np.cos(z)+np.sin(x+y)*np.sin(z),
}
# -------------------------------------------------------------------- # --------------------------------------------------------------------
# MAIN # MAIN
# -------------------------------------------------------------------- # --------------------------------------------------------------------
@ -71,16 +62,8 @@ parser.set_defaults(type = minimal_surfaces[0],
name = None if filename == [] else filename[0] name = None if filename == [] else filename[0]
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
x,y,z = np.meshgrid(options.periods*2.0*np.pi*(np.arange(options.grid[0])+0.5)/options.grid[0], geom=damask.Geom.from_minimal_surface(options.grid,options.size,options.type,options.threshold,
options.periods*2.0*np.pi*(np.arange(options.grid[1])+0.5)/options.grid[1], options.periods,options.microstructure)
options.periods*2.0*np.pi*(np.arange(options.grid[2])+0.5)/options.grid[2],
indexing='xy',sparse=True)
microstructure = np.where(options.threshold < surface[options.type](x,y,z),
options.microstructure[1],options.microstructure[0])
geom=damask.Geom(microstructure,options.size,
comments=[scriptID + ' ' + ' '.join(sys.argv[1:])])
damask.util.croak(geom) damask.util.croak(geom)
geom.save_ASCII(sys.stdout if name is None else name,compress=False) geom.save_ASCII(sys.stdout if name is None else name,compress=False)

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@ -292,6 +292,41 @@ class Geom:
) )
@staticmethod
def from_minimal_surface(grid,size,surface,threshold=0.0,periods=1,materials=(1,2)):
"""
Generate geometry from definition of minimal surface.
Parameters
----------
grid : int numpy.ndarray of shape (3)
Number of grid points in x,y,z direction.
size : list or numpy.ndarray of shape (3)
Physical size of the geometry in meter.
surface : {'primitive', 'gyroid', 'diamond'}
Type of the minimal surface.
threshold : float, optional.
Threshold of the minimal surface. Defaults to 0.0.
periods : integer, optional.
Number of periods per unit cell. Defaults to 1.
materials : (int, int), optional
Material IDs. Defaults to (1,2).
"""
s = {'primitive': lambda x,y,z: np.cos(x)+np.cos(y)+np.cos(z),
'gyroid': lambda x,y,z: np.sin(x)*np.cos(y)+np.sin(y)*np.cos(z)+np.cos(x)*np.sin(z),
'diamond': lambda x,y,z: np.cos(x-y)*np.cos(z)+np.sin(x+y)*np.sin(z),
}
x,y,z = np.meshgrid(periods*2.0*np.pi*(np.arange(grid[0])+0.5)/grid[0],
periods*2.0*np.pi*(np.arange(grid[1])+0.5)/grid[1],
periods*2.0*np.pi*(np.arange(grid[2])+0.5)/grid[2],
indexing='ij',sparse=True)
return Geom(material = np.where(threshold < s[surface](x,y,z),materials[1],materials[0]),
size = size,
comments = util.execution_stamp('Geom','from_minimal_surface'),
)
def save_ASCII(self,fname,compress=None): def save_ASCII(self,fname,compress=None):
""" """
Writes a geom file. Writes a geom file.

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@ -360,3 +360,21 @@ class TestGeom:
elif approach == 'Voronoi': elif approach == 'Voronoi':
geom = Geom.from_Voronoi_tessellation(grid,size,seeds, periodic=np.random.random()>0.5) geom = Geom.from_Voronoi_tessellation(grid,size,seeds, periodic=np.random.random()>0.5)
assert np.all(geom.material == material) assert np.all(geom.material == material)
@pytest.mark.parametrize('surface',['primitive','gyroid','diamond'])
def test_minimal_surface_basic_properties(self,surface):
grid = np.random.randint(60,100,3)
size = np.ones(3)+np.random.rand(3)
threshold = np.random.rand()-.5
periods = np.random.randint(2)+1
materials = np.random.randint(0,40,2)
geom = Geom.from_minimal_surface(grid,size,surface,threshold,periods,materials)
assert geom.material.max() == materials.max() and geom.material.min() == materials.min() \
and (geom.size == size).all() and (geom.grid == grid).all()
@pytest.mark.parametrize('surface',['primitive','gyroid','diamond'])
def test_minimal_surface_volume(self,surface):
grid = np.ones(3,dtype='i')*64
geom = Geom.from_minimal_surface(grid,np.ones(3),surface)
assert np.isclose(np.count_nonzero(geom.material==1)/np.prod(geom.grid),.5)