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