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Searched refs:isAtoms (Results 1 – 6 of 6) sorted by relevance

/dports/science/jmol/jmol-14.32.7/src/org/jmol/symmetry/
H A DPointGroup.java129 private boolean isAtoms; field in PointGroup
223 pg.isAtoms = (bsAtoms != null); in getPointGroup()
224 pg.bsAtoms = (pg.isAtoms ? bsAtoms : BSUtil.newBitSet2(0, atomset.length)); in getPointGroup()
439 if (isAtoms && ac > ATOM_COUNT_MAX) in getPointsAndElements()
487 if (isAtoms && r2 < distanceTolerance2) in getPointsAndElements()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/shapesurface/
H A DIsosurfaceMesh.java549 void colorVertices(short colix, BS bs, boolean isAtoms) { in colorVertices() argument
553 BS bsVertices = (isAtoms ? new BS() : bs); in colorVertices()
556 if (isAtoms) in colorVertices()
570 if (!isAtoms) { in colorVertices()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/script/
H A DScriptExpr.java1567 boolean isAtoms = haveIndex || !(tokenValue instanceof BondSet) in getBitsetProperty()
1579 tok = (isAtoms ? T.atoms : T.bonds); in getBitsetProperty()
1616 P3 pt = (isPt || !isAtoms ? new P3() : null); in getBitsetProperty()
1634 bsNew = (tok == T.atoms ? (isAtoms ? bs : vwr.ms.getAtoms(T.bonds, bs)) in getBitsetProperty()
1635 : (isAtoms ? (BS) BondSet.newBS(vwr.getBondsForSelectedAtoms(bs), null) in getBitsetProperty()
1713 if (isAtoms) { in getBitsetProperty()
H A DScriptMathProcessor.java1832 boolean isAtoms = (op.intValue != T.bonds); in getPointOrBitsetOperation()
1833 if (!isAtoms && x2.value instanceof BondSet) in getPointOrBitsetOperation()
1836 if (isAtoms && bs.cardinality() == 1 && (op.intValue & T.minmaxmask) == 0) in getPointOrBitsetOperation()
1840 return (isAtoms ? addXObj(val) : addX(SV.newV(T.bitset, BondSet.newBS( in getPointOrBitsetOperation()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/scriptext/
H A DCmdExt.java266 boolean isAtoms = !(tokenValue instanceof BondSet); in getBitsetIdentFull()
267 if (isAtoms) { in getBitsetIdentFull()
275 if (bs == null || chk || isAtoms && pt < 0) { in getBitsetIdentFull()
283 int[] indices = (isAtoms || !useAtomMap ? null : ((BondSet) tokenValue) in getBitsetIdentFull()
289 Map<String, Object> htValues = (isAtoms || asIdentity ? null : LabelToken in getBitsetIdentFull()
291 LabelToken[] tokens = (asIdentity ? null : isAtoms ? labeler.compile( in getBitsetIdentFull()
302 if (isAtoms) { in getBitsetIdentFull()
1209 boolean isAtoms = (!isQuaternion && strSmiles == null && !isPolyhedral in compare()
1211 if (isAtoms) in compare()
1218 bsAtoms1 = (isAtoms ? vwr.getAtomBitSet("spine") : new BS()); in compare()
[all …]
H A DMathExt.java1484 boolean isAtoms = (x1.tok == T.bitset); in evaluateFind()
1521 boolean isInchi = isAtoms && !isList && sFind.equalsIgnoreCase("INCHI"); in evaluateFind()
1522 boolean isInchiKey = isAtoms && !isList in evaluateFind()
1533 BS bsAtoms = (isAtoms ? (BS) x1.value : null); in evaluateFind()
1542 if (isSmiles || isSMARTS || isAtoms) { in evaluateFind()