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Python PDFCalculator.scatteringfactortable方法代码示例

本文整理汇总了Python中diffpy.srreal.pdfcalculator.PDFCalculator.scatteringfactortable方法的典型用法代码示例。如果您正苦于以下问题:Python PDFCalculator.scatteringfactortable方法的具体用法?Python PDFCalculator.scatteringfactortable怎么用?Python PDFCalculator.scatteringfactortable使用的例子?那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在diffpy.srreal.pdfcalculator.PDFCalculator的用法示例。


在下文中一共展示了PDFCalculator.scatteringfactortable方法的4个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的Python代码示例。

示例1: _makePDFCalculator

# 需要导入模块: from diffpy.srreal.pdfcalculator import PDFCalculator [as 别名]
# 或者: from diffpy.srreal.pdfcalculator.PDFCalculator import scatteringfactortable [as 别名]
def _makePDFCalculator(crst, cfgdict):
    '''Return a PDFCalculator object evaluated for a pyobjcryst.Crystal crst.
    '''
    inpdfcalc = lambda kv: kv[0] not in ('biso', 'type')
    pdfcargs = dict(filter(inpdfcalc, cfgdict.items()))
    pdfc = PDFCalculator(**pdfcargs)
    if 'biso' in cfgdict:
        setbiso = lambda sc: sc.mpScattPow.SetBiso(cfgdict['biso'])
        map(setbiso, crst.GetScatteringComponentList())
    if 'type' in cfgdict:
        pdfc.scatteringfactortable = cfgdict['type']
    pdfc.eval(crst)
    # avoid metadata override by PDFFitStructure
    for k, v in pdfcargs.items():
        setattr(pdfc, k, v)
    return pdfc
开发者ID:pavoljuhas,项目名称:diffpy.srreal,代码行数:18,代码来源:testpdfcalcobjcryst.py

示例2: _makePDFCalculator

# 需要导入模块: from diffpy.srreal.pdfcalculator import PDFCalculator [as 别名]
# 或者: from diffpy.srreal.pdfcalculator.PDFCalculator import scatteringfactortable [as 别名]
def _makePDFCalculator(crst, cfgdict):
    '''Return a PDFCalculator object evaluated for a pyobjcryst.Crystal crst.
    '''
    pdfcargs = {k : v for k, v in cfgdict.items()
                if k not in ('biso', 'type')}
    pdfc = PDFCalculator(**pdfcargs)
    if 'biso' in cfgdict:
        reg = crst.GetScatteringPowerRegistry()
        for i in range(reg.GetNb()):
            sp = reg.GetObj(i)
            sp.SetBiso(cfgdict['biso'])
    if 'type' in cfgdict:
        pdfc.scatteringfactortable = cfgdict['type']
    pdfc.eval(crst)
    # avoid metadata override by PDFFitStructure
    for k, v in pdfcargs.items():
        setattr(pdfc, k, v)
    return pdfc
开发者ID:diffpy,项目名称:diffpy.srreal,代码行数:20,代码来源:testpdfcalcobjcryst.py

示例3: test_ticker_override

# 需要导入模块: from diffpy.srreal.pdfcalculator import PDFCalculator [as 别名]
# 或者: from diffpy.srreal.pdfcalculator.PDFCalculator import scatteringfactortable [as 别名]
 def test_ticker_override(self):
     """check Python override of ScatteringFactorTable.ticker.
     """
     from diffpy.srreal.pdfcalculator import PDFCalculator
     lsft = LocalTable()
     self.assertEqual(0, lsft.tcnt)
     et0 = lsft.ticker()
     self.assertEqual(1, lsft.tcnt)
     et1 = ScatteringFactorTable.ticker(lsft)
     self.assertEqual(1, lsft.tcnt)
     self.assertEqual(et0, et1)
     et0.click()
     self.assertEqual(et0, et1)
     # check that implicit ticker call from PDFCalculator is
     # handled by Python override of the ticker method.
     pc = PDFCalculator()
     pc.scatteringfactortable = lsft
     pc.ticker()
     self.assertEqual(2, lsft.tcnt)
     return
开发者ID:diffpy,项目名称:diffpy.srreal,代码行数:22,代码来源:testscatteringfactortable.py

示例4: test_picking_owned

# 需要导入模块: from diffpy.srreal.pdfcalculator import PDFCalculator [as 别名]
# 或者: from diffpy.srreal.pdfcalculator.PDFCalculator import scatteringfactortable [as 别名]
 def test_picking_owned(self):
     '''verify pickling of envelopes owned by PDF calculators.
     '''
     pc = PDFCalculator()
     dbpc = DebyePDFCalculator()
     ltb = LocalTable()
     ltb.setCustomAs('Na', 'Na', 37)
     ltb.foo = 'bar'
     pc.scatteringfactortable = ltb
     dbpc.scatteringfactortable = ltb
     self.assertIs(ltb, pc.scatteringfactortable)
     self.assertIs(ltb, dbpc.scatteringfactortable)
     pc2 = pickle.loads(pickle.dumps(pc))
     dbpc2 = pickle.loads(pickle.dumps(dbpc))
     self.assertEqual('localtable', pc2.scatteringfactortable.type())
     self.assertEqual('localtable', dbpc2.scatteringfactortable.type())
     self.assertEqual(37, pc2.scatteringfactortable.lookup('Na'))
     self.assertEqual(37, dbpc2.scatteringfactortable.lookup('Na'))
     self.assertEqual('bar', pc2.scatteringfactortable.foo)
     self.assertEqual('bar', dbpc2.scatteringfactortable.foo)
     return
开发者ID:diffpy,项目名称:diffpy.srreal,代码行数:23,代码来源:testscatteringfactortable.py


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