Molconn-Z 4.00 Manual: Toolkit Programmers Guide: Chi Topological Functions and Formalisms

Molconn-Z Toolkit Programmers Guide: Chi Topological Functions and Formalisms

Topological Function Definitions

MOLCONNZ_TOP_FUNCT_D_GEOMMEAN 1distance/geometric mean
MOLCONNZ_TOP_FUNCT_GEOMMEAN_D 2geometric mean/distance
MOLCONNZ_TOP_FUNCT_D2_GEOMMEAN 3distance**2/geometric mean
MOLCONNZ_TOP_FUNCT_GEOMMEAN_D2 4geometric mean/distance**2
MOLCONNZ_TOP_FUNCT_D3_GEOMMEAN 5distance**3/geometric mean
MOLCONNZ_TOP_FUNCT_GEOMMEAN_D3 6geometric mean/distance**3

Connectivity/Topological Formalism Definitions

MOLCONNZ_FORMALISM_RECIPROCAL 0reciprocal-squareroot
MOLCONNZ_FORMALISM_GEOMETMEAN 1topological geometric mean