Class: Chem::MSI::Model
- Inherits:
-
Chem::Molecule
- Object
- Chem::Molecule
- Chem::MSI::Model
- Includes:
- MSIObject
- Defined in:
- lib/chem/db/msi.rb
Constant Summary
Constants included from Chem::Molecule
Chem::Molecule::EpsHeader, Chem::Molecule::MDLCountLineFormat
Instance Attribute Summary
Attributes included from MSIObject
Attributes included from Chem::Molecule
Attributes included from Graph
Method Summary
Methods included from MSIObject
Methods included from Chem::Molecule
#-, #assign_2d_geometry, #breadth_first_search, #canonical_ring, #composition, #connected?, #deep_dup, #delete, #delete_bond, #depth_first_search, #divide, #find_smallest_ring, #find_sssr, #induced_sub, #molecular_weight, #n_hydrogen, #oxidation_number, #save, #save_as_mdl, #save_as_pdf, #search_pubchem, #subset_in_composition?, #to_cansmi, #to_eps, #to_sybyl, #trim
Methods included from Graph
#adj_matrix, #adjacency_list, #adjacent_to, #clustering_coefficient, #connection, #each, #match_by_adj_mat, #match_by_ullmann, #match_exhaustively, #matchable, #matchable_old, #morgan