#!/usr/bin/env python2.7 # -*- coding: UTF-8 no BOM -*- import os,sys,math import numpy as np from optparse import OptionParser import damask scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptID = ' '.join([scriptName,damask.version]) # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- minimal_surfaces = ['primitive','gyroid','diamond',] surface = { 'primitive': lambda x,y,z: math.cos(x)+math.cos(y)+math.cos(z), 'gyroid': lambda x,y,z: math.sin(x)*math.cos(y)+math.sin(y)*math.cos(z)+math.cos(x)*math.sin(z), 'diamond': lambda x,y,z: math.cos(x-y)*math.cos(z)+math.sin(x+y)*math.sin(z), } parser = OptionParser(option_class=damask.extendableOption, usage='%prog [option(s)] [geomfile]', description = """ Generate a geometry file of a bicontinuous structure of given type. """, version = scriptID) parser.add_option('-t','--type', dest = 'type', choices = minimal_surfaces, metavar = 'string', help = 'type of minimal surface [primitive] {%s}' %(','.join(minimal_surfaces))) parser.add_option('-f','--threshold', dest = 'threshold', type = 'float', metavar = 'float', help = 'threshold value defining minimal surface [%default]') parser.add_option('-g', '--grid', dest = 'grid', type = 'int', nargs = 3, metavar = 'int int int', help = 'a,b,c grid of hexahedral box [%default]') parser.add_option('-s', '--size', dest = 'size', type = 'float', nargs = 3, metavar = 'float float float', help = 'x,y,z size of hexahedral box [%default]') parser.add_option('-p', '--periods', dest = 'periods', type = 'int', metavar = 'int', help = 'number of repetitions of unit cell [%default]') parser.add_option('--homogenization', dest = 'homogenization', type = 'int', metavar = 'int', help = 'homogenization index to be used [%default]') parser.add_option('--m', dest = 'microstructure', type = 'int', nargs = 2, metavar = 'int int', help = 'two microstructure indices to be used [%default]') parser.set_defaults(type = minimal_surfaces[0], threshold = 0.0, periods = 1, grid = (16,16,16), size = (1.0,1.0,1.0), homogenization = 1, microstructure = (1,2), ) (options,filenames) = parser.parse_args() # --- loop over input files ------------------------------------------------------------------------- if filenames == []: filenames = [None] for name in filenames: try: table = damask.ASCIItable(outname = name, buffered = False, labeled = False) except: continue damask.util.report(scriptName,name) # ------------------------------------------ make grid ------------------------------------- info = { 'grid': np.array(options.grid), 'size': np.array(options.size), 'origin': np.zeros(3,'d'), 'microstructures': max(options.microstructure), 'homogenization': options.homogenization } #--- report --------------------------------------------------------------------------------------- damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))), 'size x y z: %s'%(' x '.join(map(str,info['size']))), 'origin x y z: %s'%(' : '.join(map(str,info['origin']))), 'homogenization: %i'%info['homogenization'], 'microstructures: %i'%info['microstructures'], ]) errors = [] if np.any(info['grid'] < 1): errors.append('invalid grid a b c.') if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.') if errors != []: damask.util.croak(errors) table.close(dismiss = True) continue #--- write header --------------------------------------------------------------------------------- table.labels_clear() table.info_clear() table.info_append([ scriptID + ' ' + ' '.join(sys.argv[1:]), "grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']), "size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']), "origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']), "homogenization\t{homog}".format(homog=info['homogenization']), "microstructures\t{microstructures}".format(microstructures=info['microstructures']), ]) table.head_write() #--- write data ----------------------------------------------------------------------------------- X = options.periods*2.0*math.pi*(np.arange(options.grid[0])+0.5)/options.grid[0] Y = options.periods*2.0*math.pi*(np.arange(options.grid[1])+0.5)/options.grid[1] Z = options.periods*2.0*math.pi*(np.arange(options.grid[2])+0.5)/options.grid[2] for z in range(options.grid[2]): for y in range(options.grid[1]): table.data_clear() for x in range(options.grid[0]): table.data_append(options.microstructure[options.threshold < surface[options.type](X[x],Y[y],Z[z])]) table.data_write() table.close()