preparing transition to Geom and Table classes
This commit is contained in:
Martin Diehl
parent
871ff4c218
commit
0292e8fcc7
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@ -1,11 +1,13 @@
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#!/usr/bin/env python3
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# -*- coding: UTF-8 no BOM -*-
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import os,math,sys
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import numpy as np
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import damask
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import os
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import sys
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from optparse import OptionParser
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import numpy as np
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import damask
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scriptName = os.path.splitext(os.path.basename(__file__))[0]
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scriptID = ' '.join([scriptName,damask.version])
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@ -35,109 +37,73 @@ parser.add_option('-y',
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action = 'store_true',
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dest = 'y',
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help = 'poke 45 deg along y')
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parser.add_option('-p','--position',
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dest = 'position',
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type = 'string', metavar = 'string',
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help = 'column label for coordinates [%default]')
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parser.set_defaults(x = False,
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y = False,
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box = [0.0,1.0,0.0,1.0,0.0,1.0],
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N = 16,
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position = 'pos',
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)
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(options,filenames) = parser.parse_args()
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if filenames == []: filenames = [None]
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options.box = np.array(options.box).reshape(3,2)
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# --- loop over output files -------------------------------------------------------------------------
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if filenames == []: filenames = [None]
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for name in filenames:
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try:
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table = damask.ASCIItable(name = name,
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outname = os.path.splitext(name)[-2]+'_poked_{}.seeds'.format(options.N) if name else name,
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buffered = False, labeled = False)
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except: continue
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damask.util.report(scriptName,name)
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# --- interpret header ----------------------------------------------------------------------------
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table.head_read()
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info,extra_header = table.head_getGeom()
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damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
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'size x y z: %s'%(' x '.join(map(str,info['size']))),
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'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
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'homogenization: %i'%info['homogenization'],
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'microstructures: %i'%info['microstructures'],
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])
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grid = info['grid']
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size = info['size']
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errors = []
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if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
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if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.')
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if errors != []:
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damask.util.croak(errors)
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table.close(dismiss = True)
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continue
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microstructure = table.microstructure_read(grid).reshape(grid) # read microstructure
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# --- read data ------------------------------------------------------------------------------------
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offset =(np.amin(options.box, axis=1)*grid/size).astype(int)
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box = np.amax(options.box, axis=1) \
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- np.amin(options.box, axis=1)
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microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
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# --- do work ------------------------------------------------------------------------------------
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newInfo = {
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'microstructures': 0,
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}
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offset = (np.amin(options.box, axis=1)*info['grid']/info['size']).astype(int)
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box = np.amax(options.box, axis=1) - np.amin(options.box, axis=1)
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Nx = int(options.N/math.sqrt(options.N*info['size'][1]*box[1]/info['size'][0]/box[0]))
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Ny = int(options.N/math.sqrt(options.N*info['size'][0]*box[0]/info['size'][1]/box[1]))
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Nz = int(box[2]*info['grid'][2])
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Nx = int(options.N/np.sqrt(options.N*size[1]*box[1]/size[0]/box[0]))
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Ny = int(options.N/np.sqrt(options.N*size[0]*box[0]/size[1]/box[1]))
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Nz = int(box[2]*grid[2])
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damask.util.croak('poking {} x {} x {} in box {} {} {}...'.format(Nx,Ny,Nz,*box))
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seeds = np.zeros((Nx*Ny*Nz,4),'d')
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grid = np.zeros(3,'i')
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g = np.zeros(3,'i')
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n = 0
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for i in range(Nx):
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for j in range(Ny):
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grid[0] = round((i+0.5)*box[0]*info['grid'][0]/Nx-0.5)+offset[0]
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grid[1] = round((j+0.5)*box[1]*info['grid'][1]/Ny-0.5)+offset[1]
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g[0] = round((i+0.5)*box[0]*grid[0]/Nx-0.5)+offset[0]
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g[1] = round((j+0.5)*box[1]*grid[1]/Ny-0.5)+offset[1]
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for k in range(Nz):
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grid[2] = k + offset[2]
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grid %= info['grid']
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seeds[n,0:3] = (0.5+grid)/info['grid'] # normalize coordinates to box
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seeds[n, 3] = microstructure[grid[0],grid[1],grid[2]]
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if options.x: grid[0] += 1
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if options.y: grid[1] += 1
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g[2] = k + offset[2]
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g %= grid
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seeds[n,0:3] = (g+0.5)/grid # normalize coordinates to box
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seeds[n, 3] = microstructure[g[2],g[1],g[0]]
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if options.x: g[0] += 1
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if options.y: g[1] += 1
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n += 1
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newInfo['microstructures'] = len(np.unique(seeds[:,3]))
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# --- report ---------------------------------------------------------------------------------------
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if (newInfo['microstructures'] != info['microstructures']):
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damask.util.croak('--> microstructures: %i'%newInfo['microstructures'])
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# ------------------------------------------ assemble header ---------------------------------------
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table.info_clear()
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table.info_append(extra_header+[
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scriptID + ' ' + ' '.join(sys.argv[1:]),
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"poking\ta {}\tb {}\tc {}".format(Nx,Ny,Nz),
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"grid\ta {}\tb {}\tc {}".format(*info['grid']),
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"size\tx {}\ty {}\tz {}".format(*info['size']),
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"grid\ta {}\tb {}\tc {}".format(*grid),
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"size\tx {}\ty {}\tz {}".format(*size),
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"origin\tx {}\ty {}\tz {}".format(*info['origin']),
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"homogenization\t{}".format(info['homogenization']),
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"microstructures\t{}".format(newInfo['microstructures']),
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])
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table.labels_clear()
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table.labels_append(['{dim}_{label}'.format(dim = 1+i,label = options.position) for i in range(3)]+['microstructure'])
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table.labels_append(['{dim}_{label}'.format(dim = 1+i,label = 'pos') for i in range(3)]+['microstructure'])
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table.head_write()
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table.output_flush()
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