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Commit aedb03f6 authored by Alexander Rose's avatar Alexander Rose
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comments, cleanup

parent 9cbbd7e3
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......@@ -238,7 +238,6 @@ parser.addArgument(['--file', '-f'], { help: 'filename' });
parser.addArgument(['--models'], { help: 'print models info', action: 'storeTrue' });
parser.addArgument(['--seq'], { help: 'print sequence', action: 'storeTrue' });
parser.addArgument(['--ihm'], { help: 'print IHM', action: 'storeTrue' });
parser.addArgument(['--units'], { help: 'print units', action: 'storeTrue' });
parser.addArgument(['--sym'], { help: 'print symmetry', action: 'storeTrue' });
parser.addArgument(['--rings'], { help: 'print rings', action: 'storeTrue' });
......
......@@ -38,10 +38,11 @@ interface Model extends Readonly<{
atomicConformation: AtomicConformation,
properties: {
// secondary structure provided by the input file
/** secondary structure provided by the input file */
readonly secondaryStructure: SecondaryStructure,
// maps modified residue name to its parent
/** maps modified residue name to its parent */
readonly modifiedResidueNameMap: Map<string, string>,
/** maps asym ids to serial numbers that are unique per asym id */
readonly asymIdSerialMap: Map<string, number>
},
......
......@@ -31,6 +31,7 @@ function createLookUp(entities: Entities, chain: Map<number, Map<string, number>
if (!cm.has(c)) return -1;
return cm.get(c)!;
}
// TODO consider implementing as binary search
const findSequenceKey: CoarsedElementKeys['findSequenceKey'] = (e, c, s) => {
const eKey = getEntKey(e);
if (eKey < 0) return -1;
......
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