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])
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])
def __del__(self): """Delete the Edge instance.""" Kinetics.__del__(self) EdgePhase.__del__(self)