message: ignore water units for inter-unit bond calculation by default
diff: * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
  -import { BondType } from '../../../model/types';
  +import { BondType, MoleculeType } from '../../../model/types';
  import Structure from '../../structure';
  import Unit from '../../unit';
  import { getElementIdx, getElementPairThreshold, getElementThreshold, isHydrogen, BondComputationProps, MetalsSet, DefaultBondComputationProps } from './common';
  @@ -192,7 +192,15 @@ function findBonds(structure: Structure, props: InterBondComputationProps) {
  function computeInterUnitBonds(structure: Structure, props?: Partial<InterBondComputationProps>): InterUnitBonds {
  return findBonds(structure, {
  ...DefaultBondComputationProps,
  - validUnitPair: (props && props.validUnitPair) || Structure.validUnitPair,
  + validUnitPair: (props && props.validUnitPair) || ((s, a, b) => {
  + const mtA = a.model.atomicHierarchy.derived.residue.moleculeType;
  + const mtB = b.model.atomicHierarchy.derived.residue.moleculeType;
  + const notWater = (
  + (!Unit.isAtomic(a) || mtA[a.residueIndex[a.elements[0]]] !== MoleculeType.Water) &&
  + (!Unit.isAtomic(b) || mtB[b.residueIndex[b.elements[0]]] !== MoleculeType.Water)
  + );
  + return Structure.validUnitPair(s, a, b) && notWater;
  + }),
  });
  }
  