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DAMASK_EICMD
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simplified option parsing

This commit is contained in:
Martin Diehl 2015-05-15 13:49:16 +00:00
parent e45dcb7948
commit 03fef5fd6e
1 changed files with 5 additions and 22 deletions
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27
processing/post/addCompatibilityMismatch.py
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@ -26,22 +26,13 @@ parser.add_option('--no-volume','-v', dest='noVolume', action='store_false',
help='do not calculate volume mismatch') help='do not calculate volume mismatch')
parser.add_option('-c','--coordinates', dest='coords', metavar='string', parser.add_option('-c','--coordinates', dest='coords', metavar='string',
help='column heading for coordinates [%default]') help='column heading for coordinates [%default]')
parser.add_option('-f','--defgrad', dest='defgrad', metavar='string', parser.add_option('-f','--defgrad', dest='defgrad', metavar='string ',
help='column heading for coordinates [%defgrad]') help='column heading for coordinates [%default]')
parser.set_defaults(noVolume = False) parser.set_defaults(coords = 'ipinitialcoord')
parser.set_defaults(noShape = False) parser.set_defaults(defgrad = 'f')
parser.set_defaults(coords = 'ipinitialcoord')
parser.set_defaults(defgrad = 'f')
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
datainfo = { # list of requested labels per datatype
'defgrad': {'len':9,
'label':[]},
}
datainfo['defgrad']['label'].append(options.defgrad)
# ------------------------------------------ setup file handles ------------------------------------ # ------------------------------------------ setup file handles ------------------------------------
files = [] files = []
for name in filenames: for name in filenames:
@ -79,18 +70,10 @@ for file in files:
max(map(float,coords[2].keys()))-min(map(float,coords[2].keys())),\ max(map(float,coords[2].keys()))-min(map(float,coords[2].keys())),\
],'d') # size from bounding box, corrected for cell-centeredness ],'d') # size from bounding box, corrected for cell-centeredness
for i, points in enumerate(grid):
if points == 1:
options.packing[i] = 1
options.shift[i] = 0
mask = np.ones(3,dtype=bool)
mask[i]=0
size[i] = min(size[mask]/grid[mask]) # third spacing equal to smaller of other spacing
N = grid.prod() N = grid.prod()
# --------------- figure out columns to process --------------------------------------------------- # --------------- figure out columns to process ---------------------------------------------------
key = '1_%s'%datainfo['defgrad']['label'][0] key = '1_%s'%options.defgrad
if key not in table.labels: if key not in table.labels:
file['croak'].write('column %s not found...\n'%key) file['croak'].write('column %s not found...\n'%key)
continue continue