- <init>
Create a predicate for checking mappings between a provided query and target.
- apply
Is the mapping of the stereochemistry in the query preserved in the target.
- checkGeometric
Verify the geometric stereochemistry (cis/trans) of the double bond u1=u2 is
preserved in the target
- checkTetrahedral
Verify the tetrahedral stereo-chemistry (clockwise/anticlockwise) of atom u is
preserved in the targ
- getMappedBond
- indexAtoms
Create an index of atoms for the provided container.
- indexElements
Index the stereo elements of the container into the the elements and types
arrays. The map is used f
- indexOf
- map
Transforms the neighbors us adjacent to u into the target indices using the
mapping mapping. The tra
- neighbors
Access the neighbors of element as their indices.
- otherIndex
Given an index of an atom in the query get the index of the other atom in the
double bond.
- parity
Get the parity (-1,+1) of the tetrahedral configuration.