Ignore:
Timestamp:
Apr 23, 2017 9:30:38 PM (5 years ago)
Author:
toby
Message:

updates for doc build

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIlattice.py

    r2775 r2802  
    793793    :param ifreverse: True for largest d first
    794794    :param ifdup: True if duplicate d-spacings allowed
    795     :return sorted reflection list
     795    :return: sorted reflection list
    796796    '''
    797797    T = []
     
    909909     
    910910    :param dmin: minimum d-spacing in A
    911     :param Bravais: lattice type (see GetBraviasNum). Bravais is one of::
    912    
    913             0 F cubic
    914             1 I cubic
    915             2 P cubic
    916             3 R hexagonal (trigonal not rhombohedral)
    917             4 P hexagonal
    918             5 I tetragonal
    919             6 P tetragonal
    920             7 F orthorhombic
    921             8 I orthorhombic
    922             9 C orthorhombic
    923             10 P orthorhombic
    924             11 C monoclinic
    925             12 P monoclinic
    926             13 P triclinic
     911    :param Bravais: lattice type (see GetBraviasNum). Bravais is one of:
     912   
     913            * 0 F cubic
     914            * 1 I cubic
     915            * 2 P cubic
     916            * 3 R hexagonal (trigonal not rhombohedral)
     917            * 4 P hexagonal
     918            * 5 I tetragonal
     919            * 6 P tetragonal
     920            * 7 F orthorhombic
     921            * 8 I orthorhombic
     922            * 9 C orthorhombic
     923            * 10 P orthorhombic
     924            * 11 C monoclinic
     925            * 12 P monoclinic
     926            * 13 P triclinic
    927927           
    928928    :param A: reciprocal metric tensor elements as [G11,G22,G33,2*G12,2*G13,2*G23]
     
    12081208    :param str Laue: Laue symbol, as below
    12091209   
    1210       centrosymmetric Laue groups::
     1210      centrosymmetric Laue groups
     1211     
     1212         ::
    12111213       
    1212      ['-1','2/m','112/m','2/m11','mmm','-42m','-4m2','4/mmm','-3','-31m','-3m1','6/m','6/mmm','m3','m3m']
     1214            ['-1','2/m','112/m','2/m11','mmm','-42m','-4m2','4/mmm','-3',
     1215            '-31m','-3m1','6/m','6/mmm','m3','m3m']
    12131216     
    1214       noncentrosymmetric Laue groups::
     1217      noncentrosymmetric Laue groups
     1218
     1219         ::
    12151220     
    1216      ['1','2','211','112','m','m11','11m','222','mm2','m2m','2mm','4','-4','422','4mm','3','312','321','31m','3m1','6','-6','622','6mm','-62m','-6m2','23','432','-43m']
     1221           ['1','2','211','112','m','m11','11m','222','mm2','m2m','2mm',
     1222           '4','-4','422','4mm','3','312','321','31m','3m1','6','-6',
     1223           '622','6mm','-62m','-6m2','23','432','-43m']
    12171224     
    12181225    :param HKLF: np.array([[h,k,l,...]]) reflection set to be converted
    12191226   
    1220     :return: HKLF new reflection array with imposed Laue symmetry
     1227    :returns: HKLF new reflection array with imposed Laue symmetry
    12211228    '''
    12221229   
     
    20682075        tcell = Gmat2cell(G)
    20692076        assert np.allclose(tcell,trcell),msg
    2070 selftestlist.append(test0)
     2077if __name__ == '__main__': selftestlist.append(test0)
    20712078
    20722079def test1():
     
    20792086        assert np.allclose(G,tG),msg
    20802087        assert np.allclose(g,tg),msg
    2081 selftestlist.append(test1)
     2088if __name__ == '__main__': selftestlist.append(test1)
    20822089
    20832090def test2():
     
    20902097        tcell = A2cell(Gmat2A(G))
    20912098        assert np.allclose(cell,tcell),msg
    2092 selftestlist.append(test2)
     2099if __name__ == '__main__': selftestlist.append(test2)
    20932100
    20942101def test3():
     
    21012108        assert np.allclose(G,tG),msg
    21022109        assert np.allclose(g,tg),msg
    2103 selftestlist.append(test3)
     2110if __name__ == '__main__': selftestlist.append(test3)
    21042111
    21052112def test4():
     
    21112118        assert np.allclose(calc_rV(cell2A(cell)),trV), msg
    21122119        assert np.allclose(calc_V(cell2A(cell)),tV), msg
    2113 selftestlist.append(test4)
     2120if __name__ == '__main__': selftestlist.append(test4)
    21142121
    21152122def test5():
     
    21212128        rcell = A2invcell(cell2A(cell))
    21222129        assert np.allclose(rcell,trcell),msg
    2123 selftestlist.append(test5)
     2130if __name__ == '__main__': selftestlist.append(test5)
    21242131
    21252132def test6():
     
    21392146            assert np.allclose(ortho,to), msg
    21402147            assert np.allclose(frac,tf), msg
    2141 selftestlist.append(test6)
     2148if __name__ == '__main__': selftestlist.append(test6)
    21422149
    21432150def test7():
     
    21892196            else:
    21902197                assert 0,'No match for %s at %s (%s)' % ((h,k,l),d,key)
    2191 selftestlist.append(test7)
     2198if __name__ == '__main__': selftestlist.append(test7)
    21922199
    21932200def test8():
     
    22512258            #for hkllist,dref in sgtbxlattinp.sgtbx8[key][1]: print '  ',hkllist,dref
    22522259            #print center, Laue, Axis, system
    2253 selftestlist.append(test8)
     2260if __name__ == '__main__': selftestlist.append(test8)
    22542261           
    22552262def test9():
     
    22762283                err = False
    22772284        assert(err)
    2278 selftestlist.append(test9)
     2285if __name__ == '__main__': selftestlist.append(test9)
    22792286       
    22802287       
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