chirality_description Struct Reference

#include <parameter_sets.h>

List of all members.

Public Attributes
char	RS
char	DL
char	pm
	for R/S & D/L type chirality & p/m type optical activity
char	UD
char	AB
	for up/down and alpha/beta descriptors
int	niso
	number of other descriptors
char **	iso
	the niso other descriptions of isomerism
char *	ELGEOM
char *	SPGEOM
	electronic (sp2, sp3, etc.) and spatial (tetrahedral, etc.) geometry

---

Detailed Description

Definition at line 23 of file parameter_sets.h.

---

Member Data Documentation

char chirality_description::AB

for up/down and alpha/beta descriptors

Definition at line 25 of file parameter_sets.h.

char chirality_description::DL

Definition at line 24 of file parameter_sets.h.

char* chirality_description::ELGEOM

Definition at line 28 of file parameter_sets.h.

char** chirality_description::iso

the niso other descriptions of isomerism

Definition at line 27 of file parameter_sets.h.

int chirality_description::niso

number of other descriptors

Definition at line 26 of file parameter_sets.h.

Referenced by deallocateChiralityDescription().

char chirality_description::pm

for R/S & D/L type chirality & p/m type optical activity

Definition at line 24 of file parameter_sets.h.

char chirality_description::RS

Definition at line 24 of file parameter_sets.h.

char * chirality_description::SPGEOM

electronic (sp2, sp3, etc.) and spatial (tetrahedral, etc.) geometry

Definition at line 28 of file parameter_sets.h.

char chirality_description::UD

Definition at line 25 of file parameter_sets.h.

---

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

• inc/parameter_sets.h