Contains all global settings for the library. More...
#include <Options.h>
Data Structures | |
struct | Thermalization |
Model thermal effects on stereopermutation interconversions. More... | |
Static Public Attributes | |
static ChiralStatePreservation | chiralStatePreservation |
Sets the manner in which chiral state is preserved for all Molecules. More... | |
static ShapeTransition | shapeTransition |
Specifies AtomStereopermutator shape choice behavior on ligand additions or removals. More... | |
Contains all global settings for the library.
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static |
Sets the manner in which chiral state is preserved for all Molecules.
Defaults to EffortlessAndUnique.
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static |
Specifies AtomStereopermutator shape choice behavior on ligand additions or removals.
Defaults to MaximizeChiralStatePreservation