Molassembler  3.0.0
Molecule graph and conformer library
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Composites.h File Reference

Generate rotational orientations of two shapes fused over a bond. More...

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Data Structures

class  Scine::Molassembler::Stereopermutations::Composite
 Represents the composite of two shapes joined by a bond at arbitrary shape vertices. More...
 
struct  Scine::Molassembler::Stereopermutations::Composite::AngleGroup
 A group of shape vertices at an angle from the fused position. More...
 
struct  Scine::Molassembler::Stereopermutations::Composite::OrientationState
 Encompasses the orientation of a shape along a fused bond. More...
 
struct  Scine::Molassembler::Stereopermutations::Composite::Permutation
 Class representing a single rotational permutation. More...
 
struct  Scine::Molassembler::Stereopermutations::Composite::PermutationGenerator
 

Namespaces

 Scine::Molassembler
 Central library namespace.
 
 Scine::Molassembler::Stereopermutations
 Data classes for permutational spatial arrangement modeling.
 

Detailed Description

Generate rotational orientations of two shapes fused over a bond.