Python StructureParser Examples

Example #1

File: p_discus.py Project: samrmayers/diffpy.structure

 def __init__(self):
     StructureParser.__init__(self)
     self.format = "discus"
     # helper variables
     self.nl = None
     self.lines = None
     self.line = None
     self.stru = None
     self.ignored_lines = []
     self.cell_read = False
     self.ncell_read = False
     return

Example #2

File: p_cif.py Project: pavoljuhas/diffpy.structure

    def __init__(self, eps=None):
        """Initialize the parser for CIF structure files.

        eps  -- fractional coordinates cutoff for duplicate positions.
                When None use the default for ExpandAsymmetricUnit.
        """
        StructureParser.__init__(self)
        self.format = "cif"
        self.ciffile = None
        self.stru = None
        self.spacegroup = None
        self.eps = eps
        self.eau = None
        self.asymmetric_unit = None
        self.labelindex = {}
        self.cif_sgname = None
        pass

Example #3

File: p_cif.py Project: diffpy/diffpy.Structure

    def __init__(self, eps=None):
        """Initialize the parser for CIF structure files.

        eps  -- fractional coordinates cutoff for duplicate positions.
                When None use the default for ExpandAsymmetricUnit.
        """
        StructureParser.__init__(self)
        self.format = "cif"
        self.ciffile = None
        self.stru = None
        self.spacegroup = None
        self.eps = eps
        self.eau = None
        self.asymmetric_unit = None
        self.labelindex = {}
        self.cif_sgname = None
        pass

Example #4

File: p_pdffit.py Project: diffpy/diffpy.Structure

 def __init__(self):
     StructureParser.__init__(self)
     self.format = "pdffit"
     self.ignored_lines = []
     self.stru = None
     return

Example #5

File: p_xcfg.py Project: samrmayers/diffpy.structure

 def __init__(self):
     StructureParser.__init__(self)
     self.format = "xcfg"
     return

Example #6

File: p_auto.py Project: samrmayers/diffpy.structure

 def __init__(self, **kw):
     StructureParser.__init__(self)
     self.format = "auto"
     self.pkw = kw
     return

Example #7

File: p_rawxyz.py Project: diffpy/diffpy.Structure

 def __init__(self):
     StructureParser.__init__(self)
     self.format = "rawxyz"
     return

Example #8

File: p_auto.py Project: diffpy/diffpy.Structure

 def __init__(self, **kw):
     StructureParser.__init__(self)
     self.format = "auto"
     self.pkw = kw
     return

Example #9

 def __init__(self):
     StructureParser.__init__(self)
     self.format = "rawxyz"
     return

Example #10

 def __init__(self):
     StructureParser.__init__(self)
     self.format = "pdffit"
     self.ignored_lines = []
     self.stru = None
     return