Class Join
An object is an allowed join between an attachment atom on a Substrate
object and an attachment atom on an Adduct object. A list of Join objects
is kept at the class level.
In the initialization procedure, a check is made as to whether the
join is allowed. If not, a ValueError is raised. Thus, the Join class can
be used to determine whether the join is allowed, and to return a Join
object only if it is.
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__init__(self,
s_attachment,
a_attachment)
The user entry point is expected to be the makeJoins() method. |
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makeJoins(cls)
Make all allowed joins. |
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writeCsv(cls,
fname=None)
Write a csv file showing each allowed join on a line. |
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_isAllowed(s_attachment,
a_attachment)
Return True if the these two attachment points can be joined;
otherwise return False. |
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_isDisfavored(s_attachment,
a_attachment)
Return True if the this attachment (assumed to be allowed) is
disfavored; otherwise, return False. |
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writeCsv(cls,
fname=None)
Class Method
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Write a csv file showing each allowed join on a line. If fname is
None, write to stdout; else, write to the named file.
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