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76 lines
2.5 KiB
Python
76 lines
2.5 KiB
Python
import string
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import os
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from constants import *
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from SurfacePhase import EdgePhase
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from Kinetics import Kinetics
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import XML
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class Edge(EdgePhase, Kinetics):
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"""
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One-dimensional edge between two surfaces.
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Instances of class Edge represent reacting 1D edges between
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between 2D surfaces. Class Edge defines no methods of its
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own. All of its methods derive from either :class:`.EdgePhase` or
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:class:`.Kinetics`.
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Function :func:`.importInterface` should usually be used to build an
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Edge object from a CTI file definition, rather than calling
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the :class:`.Edge` constructor directly.
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"""
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def __init__(self, src="", root=None, surfaces=[]):
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"""
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:param src:
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CTML or CTI input file name. If more than one phase is
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defined in the file, src should be specified as ``filename#id``
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If the file is not CTML, it will be run through the CTI -> CTML
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preprocessor first.
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:param root:
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If a CTML tree has already been read in that contains
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the definition of this interface, the root of this tree can be
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specified instead of specifying *src*.
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:param phases:
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A list of all objects representing the neighboring
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surface phases which participate in the reaction mechanism.
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"""
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self.ckin = 0
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self._owner = 0
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self.verbose = 1
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# src has the form '<filename>#<id>'
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fn = src.split('#')
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id = ""
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if len(fn) > 1:
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id = fn[1]
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fn = fn[0]
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# read in the root element of the tree if not building from
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# an already-built XML tree. Enable preprocessing if the film
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# is a .cti file instead of XML.
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if src and not root:
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root = XML.XML_Node(name = 'doc', src = fn, preprocess = 1)
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# If an 'id' tag was specified, find the node in the tree with
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# that tag
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if id:
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s = root.child(id = id)
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# otherwise, find the first element with tag name 'phase'
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# (1D, 2D and 3D phases use the CTML tag name 'phase'
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else:
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s = root.child(name = "phase")
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# build the surface phase
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EdgePhase.__init__(self, xml_phase=s)
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# build the reaction mechanism. This object (representing the
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# surface phase) is added to the end of the list of phases
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Kinetics.__init__(self, xml_phase=s, phases=surfaces+[self])
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def __del__(self):
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"""Delete the Edge instance."""
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Kinetics.__del__(self)
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EdgePhase.__del__(self)
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