#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
import os,sys,math,string
import numpy as np
from optparse import OptionParser
import damask
scriptID = string.replace('$Id$','\n','\\n')
scriptName = scriptID.split()[1][:-3]
slipnormal_temp = [
[0,0,0,1],
[0,0,0,1],
[0,0,0,1],
[0,1,-1,0],
[-1,0,1,0],
[1,-1,0,0],
[0,1,-1,1],
[-1,1,0,1],
[-1,0,1,1],
[0,-1,1,1],
[1,-1,0,1],
[1,0,-1,1],
[0,1,-1,1],
[0,1,-1,1],
[-1,1,0,1],
[-1,1,0,1],
[-1,0,1,1],
[-1,0,1,1],
[0,-1,1,1],
[0,-1,1,1],
[1,-1,0,1],
[1,-1,0,1],
[1,0,-1,1],
[1,0,-1,1],
]
slipdirection_temp = [
[2,-1,-1,0],
[-1,2,-1,0],
[-1,-1,2,0],
[2,-1,-1,0],
[-1,2,-1,0],
[-1,-1,2,0],
[2,-1,-1,0],
[1,1,-2,0],
[-1,2,-1,0],
[-2,1,1,0],
[-1,-1,2,0],
[1,-2,1,0],
[-1,2,-1,3],
[1,1,-2,3],
[-2,1,1,3],
[-1,2,-1,3],
[-1,-1,2,3],
[-2,1,1,3],
[1,-2,1,3],
[-1,-1,2,3],
[2,-1,-1,3],
[1,-2,1,3],
[1,1,-2,3],
[2,-1,-1,3],
]
# slip normals and directions according to cpfem implementation
Nslipsystems = {'fcc': 12, 'bcc': 24, 'hex': 24}
slipnormal = { \
'fcc': [
[1,1,1],
[1,1,1],
[1,1,1],
[-1,-1,1],
[-1,-1,1],
[-1,-1,1],
[1,-1,-1],
[1,-1,-1],
[1,-1,-1],
[-1,1,-1],
[-1,1,-1],
[-1,1,-1],
],
'bcc': [
[0,1,1],
[0,1,1],
[0,-1,1],
[0,-1,1],
[1,0,1],
[1,0,1],
[-1,0,1],
[-1,0,1],
[1,1,0],
[1,1,0],
[-1,1,0],
[-1,1,0],
[2,1,1],
[-2,1,1],
[2,-1,1],
[2,1,-1],
[1,2,1],
[-1,2,1],
[1,-2,1],
[1,2,-1],
[1,1,2],
[-1,1,2],
[1,-1,2],
[1,1,-2],
],
'hex': [ # these are dummy numbers and are recalculated based on the above hex real slip systems.
[1,1,0],
[1,1,0],
[1,0,1],
[1,0,1],
[0,1,1],
[0,1,1],
[1,-1,0],
[1,-1,0],
[-1,0,1],
[-1,0,1],
[0,-1,1],
[0,-1,1],
[2,-1,1],
[1,-2,-1],
[1,1,2],
[2,1,1],
[1,2,-1],
[1,-1,2],
[2,1,-1],
[1,2,1],
[1,-1,-2],
[2,-1,-1],
[1,-2,1],
[1,1,-2],
],
}
slipdirection = { \
'fcc': [
[0,1,-1],
[-1,0,1],
[1,-1,0],
[0,-1,-1],
[1,0,1],
[-1,1,0],
[0,-1,1],
[-1,0,-1],
[1,1,0],
[0,1,1],
[1,0,-1],
[-1,-1,0],
],
'bcc': [
[1,-1,1],
[-1,-1,1],
[1,1,1],
[-1,1,1],
[-1,1,1],
[-1,-1,1],
[1,1,1],
[1,-1,1],
[-1,1,1],
[-1,1,-1],
[1,1,1],
[1,1,-1],
[-1,1,1],
[1,1,1],
[1,1,-1],
[1,-1,1],
[1,-1,1],
[1,1,-1],
[1,1,1],
[-1,1,1],
[1,1,-1],
[1,-1,1],
[-1,1,1],
[1,1,1],
],
'hex': [ # these are dummy numbers and are recalculated based on the above hex real slip systems.
[-1,1,1],
[1,-1,1],
[-1,-1,1],
[-1,1,1],
[-1,-1,1],
[1,-1,1],
[1,1,1],
[-1,-1,1],
[1,-1,1],
[1,1,1],
[1,1,1],
[-1,1,1],
[1,1,-1],
[1,1,-1],
[1,1,-1],
[1,-1,-1],
[1,-1,-1],
[1,-1,-1],
[1,-1,1],
[1,-1,1],
[1,-1,1],
[1,1,1],
[1,1,1],
[1,1,1],
],
}
def applyEulers(phi1,Phi,phi2,x):
""" transform x given in crystal coordinates to xbar returned in lab coordinates for Euler angles phi1,Phi,phi2 """
eulerRot = [[ math.cos(phi1)*math.cos(phi2) - math.cos(Phi)*math.sin(phi1)*math.sin(phi2),
-math.cos(phi1)*math.sin(phi2) - math.cos(Phi)*math.cos(phi2)*math.sin(phi1),
math.sin(Phi)*math.sin(phi1)
],
[ math.cos(phi2)*math.sin(phi1) + math.cos(Phi)*math.cos(phi1)*math.sin(phi2),
math.cos(Phi)*math.cos(phi1)*math.cos(phi2) - math.sin(phi1)*math.sin(phi2),
-math.sin(Phi)*math.cos(phi1)
],
[ math.sin(Phi)*math.sin(phi2),
math.sin(Phi)*math.cos(phi2),
math.cos(Phi)
]]
xbar = [0,0,0]
if len(x) == 3:
for i in range(3):
xbar[i] = sum([eulerRot[i][j]*x[j] for j in range(3)])
return xbar
def normalize(x):
norm = math.sqrt(sum([x[i]*x[i] for i in range(len(x))]))
return [x[i]/norm for i in range(len(x))]
def crossproduct(x,y):
return [
x[1]*y[2]-y[1]*x[2],
x[2]*y[0]-y[2]*x[0],
x[0]*y[1]-y[0]*x[1],
]
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Add columns listing Schmid factors (and optional trace vector of selected system) for given Euler angles.
""", version = scriptID)
parser.add_option('-l','--lattice', dest='lattice', type='choice',
choices=('fcc','bcc','hex'), metavar='string',
help="type of neighborhood ('fcc','bcc','hex') [%default]")
parser.add_option('--direction', dest='forcedirection', type='int', nargs=3, metavar='int int int',
help='force direction in lab coordinates %default')
parser.add_option('-n','--normal', dest='stressnormal', type='int', nargs=3, metavar='int int int',
help='stress plane normal in lab coordinates ')
parser.add_option('--trace', dest='traceplane', type='int', nargs=3, metavar='int int int',
help='normal (in lab coordinates) of plane on which the plane trace of the Schmid factor(s) is reported')
parser.add_option('--covera', dest='CoverA', type='float', metavar='float',
help='C over A ratio for hexagonal systems')
parser.add_option('-r','--rank', dest='rank', type='int', nargs=3, metavar='int int int',
help="report trace of r'th highest Schmid factor [%default]")
parser.add_option('-e', '--eulers', dest='eulers', metavar='string',
help='Euler angles label')
parser.add_option('-d', '--degrees', dest='degrees', action='store_true',
help = 'Euler angles are given in degrees [%default]')
parser.set_defaults(lattice = 'fcc')
parser.set_defaults(forcedirection = [0, 0, 1])
parser.set_defaults(stressnormal = None)
parser.set_defaults(traceplane = None)
parser.set_defaults(rank = 0)
parser.set_defaults(CoverA = 1.587)
parser.set_defaults(eulers = 'eulerangles')
(options,filenames) = parser.parse_args()
options.forcedirection = normalize(options.forcedirection)
if options.stressnormal:
if abs(sum([options.forcedirection[i] * options.stressnormal[i] for i in range(3)])) < 1e-3:
options.stressnormal = normalize(options.stressnormal)
else:
parser.error('stress plane normal not orthogonal to force direction')
else:
options.stressnormal = options.forcedirection
if options.traceplane:
options.traceplane = normalize(options.traceplane)
options.rank = min(options.rank,Nslipsystems[options.lattice])
datainfo = { # list of requested labels per datatype
'vector': {'len':3,
'label':[]},
}
datainfo['vector']['label'] += [options.eulers]
toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale degrees to radians
if options.lattice=='hex': # Convert 4 Miller indices notation of hex to orthogonal 3 Miller indices notation
for i in range(Nslipsystems[options.lattice]):
slipnormal[options.lattice][i][0]=slipnormal_temp[i][0]
slipnormal[options.lattice][i][1]=(slipnormal_temp[i][0]+2.0*slipnormal_temp[i][1])/math.sqrt(3.0)
slipnormal[options.lattice][i][2]=slipnormal_temp[i][3]/options.CoverA
slipdirection[options.lattice][i][0]=slipdirection_temp[i][0]*1.5 # direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)] ,
slipdirection[options.lattice][i][1]=(slipdirection_temp[i][0]+2.0*slipdirection_temp[i][1])*(0.5*math.sqrt(3.0))
slipdirection[options.lattice][i][2]=slipdirection_temp[i][3]*options.CoverA
for i in range(Nslipsystems[options.lattice]):
slipnormal[options.lattice][i]=normalize(slipnormal[options.lattice][i])
slipdirection[options.lattice][i]=normalize(slipdirection[options.lattice][i])
# ------------------------------------------ setup file handles ------------------------------------
files = []
if filenames == []:
files.append({'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout, 'croak':sys.stderr})
else:
for name in filenames:
if os.path.exists(name):
files.append({'name':name, 'input':open(name), 'output':open(name+'_tmp','w'), 'croak':sys.stderr})
# ------------------------------------------ loop over input files ---------------------------------
for file in files:
if file['name'] != 'STDIN': file['croak'].write('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n')
else: file['croak'].write('\033[1m'+scriptName+'\033[0m\n')
table = damask.ASCIItable(file['input'],file['output'],False) # make unbuffered ASCII_table
table.head_read() # read ASCII header info
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
key = '1_%s'%datainfo['vector']['label'][0]
if key not in table.labels:
file['croak'].write('column %s not found...\n'%key)
continue
else:
column = table.labels.index(key) # remember columns of requested data
# ------------------------------------------ assemble header ---------------------------------------
table.labels_append(['%i_S(%i_%i_%i)[%i_%i_%i]'%(i+1,
slipnormal[options.lattice][i][0],
slipnormal[options.lattice][i][1],
slipnormal[options.lattice][i][2],
slipdirection[options.lattice][i][0],
slipdirection[options.lattice][i][1],
slipdirection[options.lattice][i][2],
) for i in range(Nslipsystems[options.lattice])])
if options.traceplane:
if options.rank > 0:
table.labels_append('trace_x trace_y trace_z system')
else:
table.labels_append(['(%i)tx\tty\ttz'%(i+1) for i in range(Nslipsystems[options.lattice])])
table.head_write()
# ------------------------------------------ process data ------------------------------------------
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
[phi1,Phi,phi2] = Eulers=toRadians*np.array(map(\
float,table.data[column:column+datainfo['vector']['len']]))
S = [ sum( [applyEulers(phi1,Phi,phi2,normalize( \
slipnormal[options.lattice][slipsystem]))[i]*options.stressnormal[i] for i in range(3)] ) * \
sum( [applyEulers(phi1,Phi,phi2,normalize( \
slipdirection[options.lattice][slipsystem]))[i]*options.forcedirection[i] for i in range(3)] ) \
for slipsystem in range(Nslipsystems[options.lattice]) ]
table.data_append(S)
if options.traceplane:
trace = [crossproduct(options.traceplane,applyEulers(phi1,Phi,phi2,normalize(slipnormal[options.lattice][slipsystem]))) \
for slipsystem in range(Nslipsystems[options.lattice]) ]
if options.rank == 0:
table.data_append('\t'.join(map(lambda x:'%f\t%f\t%f'%(x[0],x[1],x[2]),trace)))
elif options.rank > 0:
SabsSorted = sorted([(abs(S[i]),i) for i in range(len(S))])
table.data_append('\t'.join(map(str,trace[SabsSorted[-options.rank][1]])) + '\t%i'%(1+SabsSorted[-options.rank][1]))
outputAlive = table.data_write() # output processed line
# ------------------------------------------ output result -----------------------------------------
outputAlive and table.output_flush() # just in case of buffered ASCII table
table.input_close() # close input ASCII table (works for stdin)
table.output_close() # close output ASCII table (works for stdout)
if file['name'] != 'STDIN':
os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new