Extended_Vadj_matrix_Veln: Moleculors extended adjacency matrix from vertex...
In FedericoViv/Moleculors:
Description
Usage
Value
Examples
View source: R/Molecular_graph_V01.R
Description
This function return the extended adjacency matrix taking into account the
effect of vertexes electronegativity.
it take as input the Vadj_matrix, the laplacian_Vertex matrix
and for each element return a'ij = ai * 'di”/dj” + dj”/di”/2 where di” is the vertex degree
of the element i multiplied by its electronegativity elni. By definition a'ij with i=j will be elni
Usage
1
Value
extended adjacency matrix from vertex electronegativity for the loaded molecule. Matrix is stored in Mol_mat environment.
Examples
1
FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.
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Description Usage Value Examples
View source: R/Molecular_graph_V01.R
Description
This function return the extended adjacency matrix taking into account the effect of vertexes electronegativity. it take as input the Vadj_matrix, the laplacian_Vertex matrix and for each element return a'ij = ai * 'di”/dj” + dj”/di”/2 where di” is the vertex degree of the element i multiplied by its electronegativity elni. By definition a'ij with i=j will be elni
Usage
1 |
Value
extended adjacency matrix from vertex electronegativity for the loaded molecule. Matrix is stored in Mol_mat environment.
Examples
1 |
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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