#!/usr/bin/env python3 import os import sys from optparse import OptionParser import numpy as np import damask scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptID = ' '.join([scriptName,damask.version]) slipSystems = { 'fcc': np.array([ [+0,+1,-1 , +1,+1,+1], [-1,+0,+1 , +1,+1,+1], [+1,-1,+0 , +1,+1,+1], [+0,-1,-1 , -1,-1,+1], [+1,+0,+1 , -1,-1,+1], [-1,+1,+0 , -1,-1,+1], [+0,-1,+1 , +1,-1,-1], [-1,+0,-1 , +1,-1,-1], [+1,+1,+0 , +1,-1,-1], [+0,+1,+1 , -1,+1,-1], [+1,+0,-1 , -1,+1,-1], [-1,-1,+0 , -1,+1,-1], ],'d'), 'bcc': np.array([ [+1,-1,+1 , +0,+1,+1], [-1,-1,+1 , +0,+1,+1], [+1,+1,+1 , +0,-1,+1], [-1,+1,+1 , +0,-1,+1], [-1,+1,+1 , +1,+0,+1], [-1,-1,+1 , +1,+0,+1], [+1,+1,+1 , -1,+0,+1], [+1,-1,+1 , -1,+0,+1], [-1,+1,+1 , +1,+1,+0], [-1,+1,-1 , +1,+1,+0], [+1,+1,+1 , -1,+1,+0], [+1,+1,-1 , -1,+1,+0], [-1,+1,+1 , +2,+1,+1], [+1,+1,+1 , -2,+1,+1], [+1,+1,-1 , +2,-1,+1], [+1,-1,+1 , +2,+1,-1], [+1,-1,+1 , +1,+2,+1], [+1,+1,-1 , -1,+2,+1], [+1,+1,+1 , +1,-2,+1], [-1,+1,+1 , +1,+2,-1], [+1,+1,-1 , +1,+1,+2], [+1,-1,+1 , -1,+1,+2], [-1,+1,+1 , +1,-1,+2], [+1,+1,+1 , +1,+1,-2], ],'d'), 'hex': np.array([ [+2,-1,-1,+0 , +0,+0,+0,+1], [-1,+2,-1,+0 , +0,+0,+0,+1], [-1,-1,+2,+0 , +0,+0,+0,+1], [+2,-1,-1,+0 , +0,+1,-1,+0], [-1,+2,-1,+0 , -1,+0,+1,+0], [-1,-1,+2,+0 , +1,-1,+0,+0], [-1,+1,+0,+0 , +1,+1,-2,+0], [+0,-1,+1,+0 , -2,+1,+1,+0], [+1,+0,-1,+0 , +1,-2,+1,+0], [-1,+2,-1,+0 , +1,+0,-1,+1], [-2,+1,+1,+0 , +0,+1,-1,+1], [-1,-1,+2,+0 , -1,+1,+0,+1], [+1,-2,+1,+0 , -1,+0,+1,+1], [+2,-1,-1,+0 , +0,-1,+1,+1], [+1,+1,-2,+0 , +1,-1,+0,+1], [-2,+1,+1,+3 , +1,+0,-1,+1], [-1,-1,+2,+3 , +1,+0,-1,+1], [-1,-1,+2,+3 , +0,+1,-1,+1], [+1,-2,+1,+3 , +0,+1,-1,+1], [+1,-2,+1,+3 , -1,+1,+0,+1], [+2,-1,-1,+3 , -1,+1,+0,+1], [+2,-1,-1,+3 , -1,+0,+1,+1], [+1,+1,-2,+3 , -1,+0,+1,+1], [+1,+1,-2,+3 , +0,-1,+1,+1], [-1,+2,-1,+3 , +0,-1,+1,+1], [-1,+2,-1,+3 , +1,-1,+0,+1], [-2,+1,+1,+3 , +1,-1,+0,+1], [-1,-1,+2,+3 , +1,+1,-2,+2], [+1,-2,+1,+3 , -1,+2,-1,+2], [+2,-1,-1,+3 , -2,+1,+1,+2], [+1,+1,-2,+3 , -1,-1,+2,+2], [-1,+2,-1,+3 , +1,-2,+1,+2], [-2,+1,+1,+3 , +2,-1,-1,+2], ],'d'), } # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """ Add columns listing Schmid factors (and optional trace vector of selected system) for given Euler angles. """, version = scriptID) latticeChoices = ('fcc','bcc','hex') parser.add_option('-l', '--lattice', dest = 'lattice', type = 'choice', choices = latticeChoices, metavar='string', help = 'type of lattice structure [%default] {}'.format(latticeChoices)) parser.add_option('--covera', dest = 'CoverA', type = 'float', metavar = 'float', help = 'C over A ratio for hexagonal systems [%default]') parser.add_option('-f', '--force', dest = 'force', type = 'float', nargs = 3, metavar = 'float float float', help = 'force direction in lab frame [%default]') parser.add_option('-n', '--normal', dest = 'normal', type = 'float', nargs = 3, metavar = 'float float float', help = 'stress plane normal in lab frame, per default perpendicular to the force') parser.add_option('-o', '--orientation', dest = 'quaternion', metavar = 'string', help = 'label of crystal orientation given as unit quaternion [%default]') parser.set_defaults(force = (0.0,0.0,1.0), quaternion='orientation', normal = None, lattice = latticeChoices[0], CoverA = np.sqrt(8./3.), ) (options, filenames) = parser.parse_args() force = np.array(options.force) force /= np.linalg.norm(force) if options.normal is not None: normal = np.array(options.normal) normal /= np.linalg.norm(normal) if abs(np.dot(force,normal)) > 1e-3: parser.error('stress plane normal not orthogonal to force direction') else: normal = force slip_direction = np.zeros((len(slipSystems[options.lattice]),3),'f') slip_normal = np.zeros_like(slip_direction) if options.lattice in latticeChoices[:2]: slip_direction = slipSystems[options.lattice][:,:3] slip_normal = slipSystems[options.lattice][:,3:] elif options.lattice == latticeChoices[2]: # convert 4 Miller index notation of hex to orthogonal 3 Miller index notation for i in range(len(slip_direction)): slip_direction[i] = np.array([slipSystems['hex'][i,0]*1.5, (slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3), slipSystems['hex'][i,3]*options.CoverA, ]) slip_normal[i] = np.array([slipSystems['hex'][i,4], (slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3), slipSystems['hex'][i,7]/options.CoverA, ]) slip_direction /= np.tile(np.linalg.norm(slip_direction,axis=1),(3,1)).T slip_normal /= np.tile(np.linalg.norm(slip_normal ,axis=1),(3,1)).T # --- loop over input files ------------------------------------------------------------------------ if filenames == []: filenames = [None] for name in filenames: try: table = damask.ASCIItable(name = name) except IOError: continue damask.util.report(scriptName,name) # ------------------------------------------ read header ------------------------------------------ table.head_read() # ------------------------------------------ sanity checks ---------------------------------------- if not table.label_dimension(options.quaternion) == 4: damask.util.croak('input {} does not have dimension 4.'.format(options.quaternion)) table.close(dismiss = True) # close ASCIItable and remove empty file continue column = table.label_index(options.quaternion) # ------------------------------------------ assemble header --------------------------------------- table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table.labels_append(['S[{direction[0]:.1g}_{direction[1]:.1g}_{direction[2]:.1g}]' '({normal[0]:.1g}_{normal[1]:.1g}_{normal[2]:.1g})'\ .format(normal = theNormal, direction = theDirection, ) for theNormal,theDirection in zip(slip_normal,slip_direction)]) table.head_write() # ------------------------------------------ process data ------------------------------------------ outputAlive = True while outputAlive and table.data_read(): # read next data line of ASCII table o = damask.Rotation(np.array(list(map(float,table.data[column:column+4])))) table.data_append( np.abs( np.sum(slip_direction * (o * force) ,axis=1) \ * np.sum(slip_normal * (o * normal),axis=1))) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- table.close() # close ASCII tables