Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence.MolEngine
Mixture Class
Mixture Methods
Add Method
GetCanonCode Method
HashCode Method
Normalize Method
Mixture
GetCanonCode Method
Compute the mixture hash code of a molecule
Namespace:
Scilligence.MolEngine
Assembly:
Scilligence.MolEngine (in Scilligence.MolEngine.dll) Version: 1.3.0.0 (7.0.0.39951)
Syntax
C#
Copy
public
static
CanonCode
GetCanonCode
(
Molecule
m
,
bool
restrict
)
Parameters
m
Type:
Scilligence.MolEngine
Molecule
The input molecule
restrict
Type:
System
Boolean
In restrition mode, it counts stereochemistry
Return Value
Type:
CanonCode
Hash code
See Also
Reference
Mixture Class
Scilligence.MolEngine Namespace