.. Copyright 2024 NWChemEx Community .. .. Licensed under the Apache License, Version 2.0 (the "License"); .. you may not use this file except in compliance with the License. .. You may obtain a copy of the License at .. .. http://www.apache.org/licenses/LICENSE-2.0 .. .. Unless required by applicable law or agreed to in writing, software .. distributed under the License is distributed on an "AS IS" BASIS, .. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. .. See the License for the specific language governing permissions and .. limitations under the License. .. _designing_the_topology_component: ################################ Designing the Topology Component ################################ TODO: More formal write-up - Cheminformatics common to think of molecule as a graph - topology allows modeling molecule independent of representation - Needed for more familiar concepts like bonds, angles, torsions - Key to graph-representation is a list of edges, i.e., bonds