Method set_client_ali belongs to class
Notation , the core class for managing
a CurlySMILES notation. This methods provides
a Notation object with a reference to a dictionary mapping client-defined
aliases to CurlySMILES code for components.
Module file:
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csm_notation.py
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Method:
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set_client_ali(dictClientAli)
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Argument:
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dictClientAli,
a dictionary with
sKey/sValue
pairs, of which sKey is an
alias and sValue is the
corresponding CurlySMILES notation encoding a component.
Note: For a component encoded as
{$myComp01},
the corresponding CurlySMILES notation needs to be referenced
in dictClientAli as
sKey
= '$myComp01'.
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Return:
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None
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Example:
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dictClientAli = {
123'$BrC3eim': 'BrCCCn1cn(CC)cc1{!re=+}',
123'$BrC4eim': 'BrCCCCn1cn(CC)cc1{!re=+}',
123'$BrC5eim': 'BrCCCCCn1cn(CC)cc1{!re=+}'
}
When a user notation is turned into a work notation during
preprocessing in method parse, a user
notation such as
123
sUserNotation = '{$BrC4eim}.[Cl-]'
will become
123
sWorkNotation = \
123456
'BrCCCCn1cn(CC)cc1{!re=+}.[Cl-]'
assuming the call
123
oNotation.set_client_ann(dictClientAli)
has been done prior to the call
123
oNotation.parse(sUserNotation).
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