#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,string,math import numpy as np from optparse import OptionParser import damask scriptID = string.replace('$Id$','\n','\\n') scriptName = os.path.splitext(scriptID.split()[1])[0] # -------------------------------------------------------------------- # 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', 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 (%s) [primitive]' %(','.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.add_option('-2', '--twodimensional', dest='twoD', action='store_true', \ help='output geom file with two-dimensional data arrangement [%default]') parser.set_defaults(type = minimal_surfaces[0]) parser.set_defaults(threshold = 0.0) parser.set_defaults(periods = 1) parser.set_defaults(grid = np.array([16,16,16])) parser.set_defaults(size = np.array([1.0,1.0,1.0])) parser.set_defaults(homogenization = 1) parser.set_defaults(microstructure = [1,2]) parser.set_defaults(twoD = False) (options,filename) = parser.parse_args() # ------------------------------------------ setup file handle ------------------------------------- if filename == []: file = {'output':sys.stdout, 'croak':sys.stderr} else: file = {'output':open(filename[0],'w'), 'croak':sys.stderr} info = { 'grid': np.array(options.grid), 'size': np.array(options.size), 'origin': np.zeros(3,'d'), 'microstructures': max(options.microstructure), 'homogenization': options.homogenization } #--- report --------------------------------------------------------------------------------------- file['croak'].write('\033[1m'+scriptName+'\033[0m\n') file['croak'].write('grid a b c: %s\n'%(' x '.join(map(str,info['grid']))) + \ 'size x y z: %s\n'%(' x '.join(map(str,info['size']))) + \ 'origin x y z: %s\n'%(' : '.join(map(str,info['origin']))) + \ 'homogenization: %i\n'%info['homogenization'] + \ 'microstructures: %i\n\n'%info['microstructures']) if np.any(info['grid'] < 1): file['croak'].write('invalid grid a b c.\n') sys.exit() if np.any(info['size'] <= 0.0): file['croak'].write('invalid size x y z.\n') sys.exit() #--- write header --------------------------------------------------------------------------------- header = [scriptID + ' ' + ' '.join(sys.argv[1:])+'\n'] header.append("grid\ta %i\tb %i\tc %i\n"%(info['grid'][0],info['grid'][1],info['grid'][2],)) header.append("size\tx %f\ty %f\tz %f\n"%(info['size'][0],info['size'][1],info['size'][2],)) header.append("origin\tx %f\ty %f\tz %f\n"%(info['origin'][0],info['origin'][1],info['origin'][2],)) header.append("microstructures\t%i\n"%info['microstructures']) header.append("homogenization\t%i\n"%info['homogenization']) file['output'].write('%i\theader\n'%(len(header))+''.join(header)) #--- write data ----------------------------------------------------------------------------------- for z in xrange(options.grid[2]): Z = options.periods*2.0*math.pi*(z+0.5)/options.grid[2] for y in xrange(options.grid[1]): Y = options.periods*2.0*math.pi*(y+0.5)/options.grid[1] for x in xrange(options.grid[0]): X = options.periods*2.0*math.pi*(x+0.5)/options.grid[0] file['output'].write(\ str({True:options.microstructure[0],False:options.microstructure[1]}[options.threshold > \ surface[options.type](X,Y,Z)]) + {True:' ',False:'\n'}[options.twoD] ) file['output'].write({True:'\n',False:''}[options.twoD])