Python total_scattering_cross_section Examples

Example #1

 def test2(self):
     from mccomponents.sample.diffraction.powder import loadPattern, total_scattering_cross_section
     dp = loadPattern(os.path.join(aluminum_dir, 'crystal', "Al.xyz"),
                      os.path.join(aluminum_dir, 'powderdiffr', "Al.laz"))
     import numpy as np
     Ei = np.arange(5, 100, 1.)
     xs = np.zeros(Ei.size, dtype='d')
     for i, e in enumerate(Ei):
         xs[i] = total_scattering_cross_section(e, dp)
         continue
     if interactive:
         import pylab
         pylab.plot(Ei, xs)
         pylab.show()
     return

Example #2

File: powder_TestCase.py Project: mcvine/mcvine

 def test2(self):
     from mccomponents.sample.diffraction.powder import loadPattern, total_scattering_cross_section
     dp = loadPattern(os.path.join(aluminum_dir, 'crystal', "Al.xyz"), 
                      os.path.join(aluminum_dir, 'powderdiffr', "Al.laz"))
     import numpy as np
     Ei = np.arange(5, 100, 1.)
     xs = np.zeros(Ei.size, dtype='d')
     for i,e in enumerate(Ei):
         xs[i] = total_scattering_cross_section(e, dp)
         continue
     if interactive:
         import pylab
         pylab.plot(Ei, xs)
         pylab.show()
     return

Example #3

    def test1(self):
        # load peaks
        laz = os.path.join(aluminum_dir, 'powderdiffr', 'Al.laz')
        text = open(laz).read()
        from mccomponents.sample.diffraction.parsers.laz import parse
        peaks = parse(text).peaks

        # load structure
        from sampleassembly.crystal.ioutils import xyzfile2unitcell
        xyz = os.path.join(aluminum_dir, 'crystal', 'Al.xyz')
        structure = xyzfile2unitcell(xyz)

        # diffraction pattern
        from mccomponents.sample.diffraction.powder import total_scattering_cross_section, DiffractionPattern
        dp = DiffractionPattern(structure, peaks)

        # compute
        for Ei in [10, 100, 1000, 10000]:
            print Ei, total_scattering_cross_section(Ei, dp)
        return

Example #4

File: powder_TestCase.py Project: mcvine/mcvine

 def test1(self):
     # load peaks
     laz = os.path.join(aluminum_dir, 'powderdiffr', 'Al.laz')
     text = open(laz).read()
     from mccomponents.sample.diffraction.parsers.laz import parse
     peaks = parse(text).peaks
     
     # load structure
     from sampleassembly.crystal.ioutils import xyzfile2unitcell
     xyz = os.path.join(aluminum_dir, 'crystal', 'Al.xyz')
     structure = xyzfile2unitcell(xyz)
     
     # diffraction pattern
     from mccomponents.sample.diffraction.powder import total_scattering_cross_section, DiffractionPattern
     dp = DiffractionPattern(structure, peaks)
     
     # compute
     for Ei in [10, 100, 1000, 10000]:
         print Ei, total_scattering_cross_section(Ei, dp)
     return