| /dports/science/cdk/cdk-cdk-2.3/base/test-interfaces/src/test/java/org/openscience/cdk/interfaces/ |
| H A D | AbstractBondTest.java | 45 b.setAtom(c, 0); in testCompare_Object()
46 b.setAtom(o, 1); in testCompare_Object()
50 b2.setAtom(c, 0); in testCompare_Object()
51 b2.setAtom(o, 1); in testCompare_Object()
62 b.setAtom(c, 0); in testContains_IAtom()
63 b.setAtom(o, 1); in testContains_IAtom()
75 b.setAtom(c, 0); in testGetAtomCount()
76 b.setAtom(o, 1); in testGetAtomCount()
136 b.setAtom(c, 0); in testAtoms()
137 b.setAtom(o, 1); in testAtoms()
[all …]
|
| H A D | AbstractLonePairTest.java | 38 lp.setAtom(atom); in testSetAtom_IAtom()
47 lp.setAtom(atom); in testGetAtom()
65 lp.setAtom(atom); in testContains_IAtom()
81 lp.setAtom(atom); in testClone_IAtom()
|
| H A D | AbstractSingleElectronTest.java | 54 radical.setAtom(atom); in testSetAtom_IAtom()
79 radical.setAtom(atom); in testClone_IAtom()
|
| /dports/textproc/sablotron/Sablot-1.0.3/src/engine/ |
| H A D | expr.cpp | 2989 retxpr.setAtom( in callFunc()
3043 retxpr.setAtom(strg); in callFunc()
3069 retxpr.setAtom(strg); in callFunc()
3119 retxpr.setAtom(strg); in callFunc()
3150 retxpr.setAtom(strg); in callFunc()
3250 retxpr.setAtom(TRUE); in callFunc()
3326 retxpr.setAtom(n); in callFunc()
3351 retxpr.setAtom(sum); in callFunc()
3370 retxpr.setAtom(n); in callFunc()
3476 retxpr.setAtom(s); in callFunc()
[all …]
|
| H A D | jsext.cpp | 551 retxpr.setAtom(newc.keep()); in SJSCallFunction()
556 retxpr.setAtom(e); in SJSCallFunction()
579 retxpr.setAtom(newc.keep()); in SJSCallFunction()
590 retxpr.setAtom(newc.keep()); in SJSCallFunction()
596 retxpr.setAtom(e); in SJSCallFunction()
604 retxpr.setAtom(rstr); in SJSCallFunction()
611 retxpr.setAtom(num); in SJSCallFunction()
615 retxpr.setAtom(JSVAL_TO_BOOLEAN(rval)); in SJSCallFunction()
622 retxpr.setAtom(rstr); in SJSCallFunction()
|
| H A D | expr.h | 371 void setAtom(Context*);
372 void setAtom(const Number&);
373 void setAtom(const DStr&);
374 void setAtom(Bool);
376 void setAtom(const External&);
|
| H A D | sxpath.cpp | 89 (*e).setAtom(Number(value)); in SXP_addVariableNumber()
99 (*e).setAtom(Str((char*)value)); in SXP_addVariableString()
109 (*e).setAtom(value ? TRUE : FALSE); in SXP_addVariableBoolean()
|
| /dports/graphics/tikzit/tikzit-2.1.6/src/test/ |
| H A D | testtikzoutput.cpp | 28 d.setAtom("foo"); in data()
30 d.setAtom("bar"); in data()
34 d.setAtom("foo+"); in data()
|
| /dports/science/molsketch/Molsketch-0.7.2/libmolsketch/ |
| H A D | TextInputItem.cpp | 73 setAtom (at); in clickedOn()
114 void TextInputItem::setAtom (Atom *at) { in setAtom() function in Molsketch::TextInputItem
|
| H A D | TextInputItem.h | 31 void setAtom (Atom *at);
|
| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/ |
| H A D | BondRef.java | 193 public void setAtom(IAtom atom, int position) { in setAtom() method in BondRef
194 bond.setAtom(atom, position); in setAtom()
|
| /dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/ |
| H A D | DebugLonePair.java | 64 public void setAtom(IAtom atom) { in setAtom() method in DebugLonePair
66 super.setAtom(atom); in setAtom()
|
| H A D | DebugSingleElectron.java | 207 public void setAtom(IAtom atom) { in setAtom() method in DebugSingleElectron
209 super.setAtom(atom); in setAtom()
|
| /dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/ |
| H A D | ISingleElectron.java | 55 public void setAtom(IAtom atom); in setAtom() method
|
| H A D | ILonePair.java | 48 public void setAtom(IAtom atom); in setAtom() method
|
| /dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/smiles/ |
| H A D | InvPairTest.java | 74 pair.setAtom(atom); in testSetAtom_IAtom()
82 pair.setAtom(new Atom(Elements.CARBON)); in testGetAtom()
|
| /dports/science/plumed/plumed2-2.7.2/src/multicolvar/ |
| H A D | AtomValuePack.h | 67 void setAtom( const unsigned& j, const unsigned& ind );
128 void AtomValuePack::setAtom( const unsigned& j, const unsigned& ind ) { in setAtom() function
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/simple/ |
| H A D | MopacArchiveReader.java | 122 setAtom(atom, 0, 1, 0, atom.x, atom.y, Float.MAX_VALUE); in readCoordinates()
125 setAtom(atom, in readCoordinates()
|
| H A D | InputReader.java | 566 return atom = setAtom(atom, ia, ib, ic, d, theta1, theta2); in getAtomGeneral()
626 protected Atom setAtom(Atom atom, int ia, int ib, int ic, float d, in setAtom() method in InputReader
648 Measure.getPlaneThroughPoint(setAtom(atom, ia, ib, ic, -d, theta1, 0), in setAtom()
650 Measure.getPlaneThroughPoint(setAtom(atom, ia, ic, ib, -d, theta2, 0), in setAtom()
|
| /dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/ |
| H A D | AtomContainer2.java | 351 public void setAtom(int idx, IAtom atom) { in setAtom() method in AtomContainer2
364 bond.setAtom(rep, 0); in setAtom()
366 bond.setAtom(rep, 1); in setAtom()
372 ec.setAtom(rep); in setAtom()
376 lp.setAtom(rep); in setAtom()
1225 lp.setAtom(getAtom(idx));
1235 electron.setAtom(getAtom(idx));
1416 pair.setAtom(atomMap.get(original.getAtom()));
1428 electron.setAtom(atomMap.get(original.getAtom()));
1926 public void setAtom(IAtom atom, int idx) {
[all …]
|
| H A D | Polymer.java | 207 newLp.setAtom(atomMap.get(lp.getAtom())); in clone()
219 newSingleElectron.setAtom(atomMap.get(singleElectron.getAtom())); in clone()
|
| /dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/ |
| H A D | AtomContainer2.java | 360 public void setAtom(int idx, IAtom atom) { in setAtom() method in AtomContainer2
373 bond.setAtom(rep, 0); in setAtom()
375 bond.setAtom(rep, 1); in setAtom()
381 ec.setAtom(rep); in setAtom()
385 lp.setAtom(rep); in setAtom()
1263 lp.setAtom(getAtom(idx));
1273 electron.setAtom(getAtom(idx));
1454 pair.setAtom(atomMap.get(original.getAtom()));
1466 electron.setAtom(atomMap.get(original.getAtom()));
1964 public void setAtom(IAtom atom, int idx) {
[all …]
|
| H A D | Polymer.java | 207 newLp.setAtom(atomMap.get(lp.getAtom())); in clone()
219 newSingleElectron.setAtom(atomMap.get(singleElectron.getAtom())); in clone()
|
| /dports/graphics/tikzit/tikzit-2.1.6/src/gui/ |
| H A D | propertypalette.cpp | 39 d->setAtom("atom 1"); in PropertyPalette()
|
| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/matchers/smarts/ |
| H A D | RingIdentifierAtom.java | 59 public void setAtom(IQueryAtom atom) { in setAtom() method in RingIdentifierAtom
|