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...

Detailed Description

Contains all global settings for the library.

Field Documentation

ChiralStatePreservation Scine::Molassembler::Options::chiralStatePreservation

static

Sets the manner in which chiral state is preserved for all Molecules.

Defaults to EffortlessAndUnique.

ShapeTransition Scine::Molassembler::Options::shapeTransition

static

Specifies AtomStereopermutator shape choice behavior on ligand additions or removals.

Defaults to MaximizeChiralStatePreservation

The documentation for this struct was generated from the following file: