added option to create hexagonal grid (2D slices only, according to P. Konijnenbergs experience on 3D ang)
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@ -106,6 +106,7 @@ parser.add_option('-c','--center', dest='center', type='float', nargs=3,
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parser.set_defaults(coords = 'coords')
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parser.set_defaults(eulerangles = 'eulerangles')
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parser.set_defaults(defgrad = 'f')
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parser.set_defaults(hexagonal = False)
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parser.set_defaults(normal = [0.0,0.0,1.0])
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parser.set_defaults(size = [1.0,1.0,0.0])
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parser.set_defaults(up = [1.0,0.0,0.0])
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@ -208,8 +209,7 @@ for file in files:
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for i in xrange(3): stepSize+=dimension[i]/resolution[i]/3.0/options.res
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print 'step size', stepSize
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hexagonal = False
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if hexagonal:
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if options.hexagonal:
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stepSize0 = stepSize * math.sin(1.0/3.0*math.pi)
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else:
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stepSize0 = stepSize
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@ -221,7 +221,7 @@ for file in files:
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max(int(options.size[2]/stepSize),1)
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print 'resolution of ang file', angRes
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if hexagonal:
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if options.hexagonal:
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NpointsSlice = angRes[0]//2*(angRes[1]-1)+(angRes[0]-angRes[0]//2)*angRes[1]
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else:
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NpointsSlice = angRes[0]*angRes[1]
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@ -250,7 +250,7 @@ for file in files:
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for i in xrange(angRes[2]):
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idx = 0
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for j in xrange(angRes[0]):
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if hexagonal:
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if options.hexagonal:
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res1=angRes[1]-j%2
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#myOffset = offset +float(j%2)* numpy.array([0.0,0.5,0.0],dtype='float')/[float(options.res[0]),float(options.res[1]),float(options.res[2])]*[dimension[0],dimension[1],dimension[2]]
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myOffset = offset +float(j%2)* numpy.array([0.0,0.5*stepSize,0.0],dtype='float')
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