Exemplo n.º 1
0
    def __init__(self, src="", root=None, surfaces=[]):
        """
        src - CTML or CTI input file name. If more than one phase is
        defined in the file, src should be specified as 'filename\#id'
        If the file is not CTML, it will be run through the CTI -> CTML
        preprocessor first.

        root - If a CTML tree has already been read in that contains
        the definition of this interface, the root of this tree can be
        specified instead of specifying 'src'.

        phases - A list of all objects representing the neighboring
        surface phases which participate in the reaction mechanism.

        """
        self.ckin = 0
        self._owner = 0
        self.verbose = 1

        # src has the form '<filename>#<id>'
        fn = src.split("#")
        id = ""
        if len(fn) > 1:
            id = fn[1]
            fn = fn[0]

        # read in the root element of the tree if not building from
        # an already-built XML tree. Enable preprocessing if the film
        # is a .cti file instead of XML.
        if src and not root:
            root = XML.XML_Node(name="doc", src=fn, preprocess=1)

        # If an 'id' tag was specified, find the node in the tree with
        # that tag
        if id:
            s = root.child(id=id)

        # otherwise, find the first element with tag name 'phase'
        # (1D, 2D and 3D phases use the CTML tag name 'phase'
        else:
            s = root.child(name="phase")

        # build the surface phase
        EdgePhase.__init__(self, xml_phase=s)

        # build the reaction mechanism. This object (representing the
        # surface phase) is added to the end of the list of phases
        Kinetics.__init__(self, xml_phase=s, phases=surfaces + [self])
Exemplo n.º 2
0
    def __init__(self, src="", root=None, surfaces=[]):
        """
        src - CTML or CTI input file name. If more than one phase is
        defined in the file, src should be specified as 'filename\#id'
        If the file is not CTML, it will be run through the CTI -> CTML
        preprocessor first.

        root - If a CTML tree has already been read in that contains
        the definition of this interface, the root of this tree can be
        specified instead of specifying 'src'.

        phases - A list of all objects representing the neighboring
        surface phases which participate in the reaction mechanism.

        """
        self.ckin = 0
        self._owner = 0
        self.verbose = 1

        # src has the form '<filename>#<id>'
        fn = src.split('#')
        id = ""
        if len(fn) > 1:
            id = fn[1]
            fn = fn[0]

        # read in the root element of the tree if not building from
        # an already-built XML tree. Enable preprocessing if the film
        # is a .cti file instead of XML.
        if src and not root:
            root = XML.XML_Node(name='doc', src=fn, preprocess=1)

        # If an 'id' tag was specified, find the node in the tree with
        # that tag
        if id:
            s = root.child(id=id)

        # otherwise, find the first element with tag name 'phase'
        # (1D, 2D and 3D phases use the CTML tag name 'phase'
        else:
            s = root.child(name="phase")

        # build the surface phase
        EdgePhase.__init__(self, xml_phase=s)

        # build the reaction mechanism. This object (representing the
        # surface phase) is added to the end of the list of phases
        Kinetics.__init__(self, xml_phase=s, phases=surfaces + [self])
Exemplo n.º 3
0
 def __del__(self):
     """Delete the Edge instance."""
     Kinetics.__del__(self)
     EdgePhase.__del__(self)
Exemplo n.º 4
0
 def __del__(self):
     """Delete the Edge instance."""
     Kinetics.__del__(self)
     EdgePhase.__del__(self)