improved stability for geom_fromAng. no longer depends on correct header information.
geom_fromVPSC with correct size determination now
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parent
40701cedc4
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c45a0ce55e
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@ -70,47 +70,53 @@ else:
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'output':open(name+'_tmp','w'),
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'output':open(name+'_tmp','w'),
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'croak':sys.stdout,
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'croak':sys.stdout,
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})
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})
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#--- loop over input files ------------------------------------------------------------------------
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#--- loop over input files ------------------------------------------------------------------------
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for file in files:
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for file in files:
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file['croak'].write('\033[1m' + scriptName + '\033[0m: ' + (file['name'] if file['name'] != 'STDIN' else '') + '\n')
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file['croak'].write('\033[1m' + scriptName + '\033[0m: ' + (file['name'] if file['name'] != 'STDIN' else '') + '\n')
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info = {
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info = {
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'grid': np.ones (3,'i'),
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'grid': np.zones(3,'i'),
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'size': np.zeros(3,'d'),
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'size': np.zeros(3,'d'),
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'origin': np.zeros(3,'d'),
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'origin': np.zeros(3,'d'),
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'microstructures': 0,
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'microstructures': 0,
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'homogenization': options.homogenization,
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'homogenization': options.homogenization
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}
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}
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step = [0,0]
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coords = [{},{},{1:True}]
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point = 0
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pos = {'min':[ float("inf"), float("inf")],
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for line in file['input']:
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'max':[-float("inf"),-float("inf")]}
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words = line.split()
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if len(words) == 0: continue # ignore empty lines
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phase = []
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if words[0] == '#': # process initial comments/header block
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eulerangles = []
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if len(words) > 2:
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# --------------- read data -----------------------------------------------------------------------
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if words[2].lower() == 'hexgrid':
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for line in file['input']:
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file['croak'].write('The file has HexGrid format. Please first convert to SquareGrid...\n')
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if line.strip():
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break
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words = line.split()
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if words[1] == 'XSTEP:': step[0] = float(words[2])
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if words[0] == '#': # process initial comments/header block
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if words[1] == 'YSTEP:': step[1] = float(words[2])
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if len(words) > 2:
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if words[1] == 'NCOLS_ODD:': # ignore order of NROWS/NCOLS
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if words[2].lower() == 'hexgrid':
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info['grid'][0] = int(words[2])
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file['croak'].write('The file has HexGrid format. Please first convert to SquareGrid...\n')
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eulerangles = np.empty((info['grid'].prod(),3),dtype='f')
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break
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phase = np.empty(info['grid'].prod(),dtype='i')
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else:
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if words[1] == 'NROWS:': # ignore order of NROWS/NCOLS
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currPos = words[3:5]
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info['grid'][1] = int(words[2])
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for i in xrange(2):
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eulerangles = np.empty((info['grid'].prod(),3),dtype='f')
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coords[i][currPos[i]] = True
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phase = np.empty(info['grid'].prod(),dtype='i')
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currPos = map(float,currPos)
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else: # finished with comments block
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for i in xrange(2):
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phase[point] = options.phase[int(float(words[options.column-1]) > options.threshold)]
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pos['min'][i] = min(pos['min'][i],currPos[i])
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eulerangles[point,...] = map(lambda x: math.degrees(float(x)), words[:3])
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pos['max'][i] = max(pos['max'][i],currPos[i])
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point += 1
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eulerangles.append(map(math.degrees,map(float,words[:3])))
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phase.append(options.phase[int(float(words[options.column-1]) > options.threshold)])
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# --------------- determine size and grid ---------------------------------------------------------
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info['grid'] = np.array(map(len,coords),'i')
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info['size'][0:2] = info['grid'][0:2]/(info['grid'][0:2]-1.0)* \
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np.array([pos['max'][0]-pos['min'][0],
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pos['max'][1]-pos['min'][1]],'d')
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info['size'][2]=info['size'][0]/info['grid'][0]
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eulerangles = np.array(eulerangles,dtype='f').reshape(info['grid'].prod(),3)
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phase = np.array(phase,dtype='i').reshape(info['grid'].prod())
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if info['grid'].prod() != point:
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file['croak'].write('Error: found %s microstructures. Header info in ang file might be wrong.\n'%point)
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continue
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limits = [360,180,360]
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limits = [360,180,360]
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if any([np.any(eulerangles[:,i]>=limits[i]) for i in [0,1,2]]):
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if any([np.any(eulerangles[:,i]>=limits[i]) for i in [0,1,2]]):
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file['croak'].write('Error: euler angles out of bound. Ang file might contain unidexed poins.\n')
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file['croak'].write('Error: euler angles out of bound. Ang file might contain unidexed poins.\n')
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@ -128,7 +134,7 @@ for file in files:
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euleranglesRadInt = (eulerangles*10**int(options.precision)).astype('int') # scale by desired precision and convert to int
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euleranglesRadInt = (eulerangles*10**int(options.precision)).astype('int') # scale by desired precision and convert to int
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eulerKeys = np.array([int(''.join(map(formatString.format,euleranglesRadInt[i,:]))) \
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eulerKeys = np.array([int(''.join(map(formatString.format,euleranglesRadInt[i,:]))) \
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for i in xrange(info['grid'].prod())]) # create unique integer key from three euler angles by concatenating the string representation with leading zeros and store as integer
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for i in xrange(info['grid'].prod())]) # create unique integer key from three euler angles by concatenating the string representation with leading zeros and store as integer
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devNull, texture, eulerKeys_idx = np.unique(eulerKeys, return_index = True, return_inverse=True)# search unique euler angle keys. Texture IDs are the indices of the first occurence, the inverse is used to construct the microstructure
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devNull, texture, eulerKeys_idx = np.unique(eulerKeys, return_index = True, return_inverse=True)# search unique euler angle keys. Texture IDs are the indices of the first occurrence, the inverse is used to construct the microstructure
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msFull = np.array([[eulerKeys_idx[i],phase[i]] for i in xrange(info['grid'].prod())],'i8') # create a microstructure (texture/phase pair) for each point using unique texture IDs. Use longInt (64bit, i8) because the keys might be long
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msFull = np.array([[eulerKeys_idx[i],phase[i]] for i in xrange(info['grid'].prod())],'i8') # create a microstructure (texture/phase pair) for each point using unique texture IDs. Use longInt (64bit, i8) because the keys might be long
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devNull,msUnique,matPoints = np.unique(msFull.view('c16'),True,True)
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devNull,msUnique,matPoints = np.unique(msFull.view('c16'),True,True)
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matPoints+=1
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matPoints+=1
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@ -155,7 +161,6 @@ for file in files:
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]
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]
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info['microstructures'] = len(microstructure)
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info['microstructures'] = len(microstructure)
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info['size'] = step[0]*info['grid'][0],step[1]*info['grid'][1],min(step)
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#--- report ---------------------------------------------------------------------------------------
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#--- report ---------------------------------------------------------------------------------------
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file['croak'].write('grid a b c: %s\n'%(' x '.join(map(str,info['grid']))) +
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file['croak'].write('grid a b c: %s\n'%(' x '.join(map(str,info['grid']))) +
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@ -90,7 +90,8 @@ for file in files:
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"homogenization\t%i"%info['homogenization'],
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"homogenization\t%i"%info['homogenization'],
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]
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]
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file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n')
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file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n')
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np.savetxt(file['output'],imarray.reshape([info['grid'][1]*info['grid'][2],info['grid'][0]]),fmt='%03d')
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np.savetxt(file['output'],imarray.reshape([info['grid'][1]*info['grid'][2],info['grid'][0]]),
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fmt='%0'+str(1+int(math.log10(np.amax(imarray))))+'d'
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#--- output finalization --------------------------------------------------------------------------
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#--- output finalization --------------------------------------------------------------------------
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if file['name'] != 'STDIN':
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if file['name'] != 'STDIN':
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@ -75,20 +75,32 @@ for file in files:
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'homogenization': options.homogenization
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'homogenization': options.homogenization
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}
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}
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coords = [{},{},{}]
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pos = {'min':[ float("inf"), float("inf"), float("inf")],
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'max':[-float("inf"),-float("inf"),-float("inf")]}
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phase = []
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phase = []
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eulerangles = []
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eulerangles = []
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point = 0
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# --------------- read data -----------------------------------------------------------------------
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for line in file['input']:
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for line in file['input']:
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if line.strip():
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if line.strip():
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words = line.split()
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words = line.split()
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currPos = map(float,words[3:6])
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currPos = words[3:6]
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for i in xrange(3):
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for i in xrange(3):
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if currPos[i] > info['grid'][i]:
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coords[i][currPos[i]] = True
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info['size'][i] = currPos[i]
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currPos = map(float,currPos)
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info['grid'][i]+=1
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for i in xrange(3):
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eulerangles.append(map(float,words[:3]))
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pos['min'][i] = min(pos['min'][i],currPos[i])
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pos['max'][i] = max(pos['max'][i],currPos[i])
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eulerangles.append(map(math.degrees,map(float,words[:3])))
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phase.append(options.phase[int(float(words[options.column-1]) > options.threshold)])
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phase.append(options.phase[int(float(words[options.column-1]) > options.threshold)])
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# --------------- determine size and grid ---------------------------------------------------------
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info['grid'] = np.array(map(len,coords),'i')
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info['size'] = info['grid']/np.maximum(np.ones(3,'d'),info['grid']-1.0)* \
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np.array([pos['max'][0]-pos['min'][0],
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pos['max'][1]-pos['min'][1],
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pos['max'][2]-pos['min'][2]],'d')
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eulerangles = np.array(eulerangles,dtype='f').reshape(info['grid'].prod(),3)
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eulerangles = np.array(eulerangles,dtype='f').reshape(info['grid'].prod(),3)
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phase = np.array(phase,dtype='i').reshape(info['grid'].prod())
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phase = np.array(phase,dtype='i').reshape(info['grid'].prod())
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@ -164,7 +176,7 @@ for file in files:
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]
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]
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file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n')
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file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n')
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if options.compress:
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if options.compress:
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matPoints = matPoints.reshape((info['grid'][1],info['grid'][0]))
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matPoints = matPoints.reshape([info['grid'][1]*info['grid'][2],info['grid'][0]])
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np.savetxt(file['output'],matPoints,fmt='%0'+str(1+int(math.log10(np.amax(matPoints))))+'d')
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np.savetxt(file['output'],matPoints,fmt='%0'+str(1+int(math.log10(np.amax(matPoints))))+'d')
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else:
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else:
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file['output'].write("1 to %i\n"%(info['microstructures']))
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file['output'].write("1 to %i\n"%(info['microstructures']))
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