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Searched refs:LOCANT_ATR (Results 1 – 13 of 13) sorted by relevance

/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/test/java/uk/ac/cam/ch/wwmm/opsin/
H A DComponentGeneration_StereochemistryTest.java24 assertEquals(null, newStereochemistryEl.getAttributeValue(LOCANT_ATR)); in testUnlocantedS()
41 assertEquals(null, newStereochemistryEl1.getAttributeValue(LOCANT_ATR)); in testMultipleUnLocanted()
47 assertEquals(null, newStereochemistryEl2.getAttributeValue(LOCANT_ATR)); in testMultipleUnLocanted()
64 assertEquals("1", newStereochemistryEl.getAttributeValue(LOCANT_ATR)); in testLocantedR()
87 assertEquals("3", newStereochemistryEl2.getAttributeValue(LOCANT_ATR)); in testMultipleRorSLocanted()
93 assertEquals("7'", newStereochemistryEl3.getAttributeValue(LOCANT_ATR)); in testMultipleRorSLocanted()
111 assertEquals(null, newStereochemistryEl.getAttributeValue(LOCANT_ATR)); in testUnLocantedE()
128 assertEquals("5", newStereochemistryEl.getAttributeValue(LOCANT_ATR)); in testLocantedZ()
145 assertEquals("N", newStereochemistryEl1.getAttributeValue(LOCANT_ATR)); in testMultipleRorSorEorZ()
151 assertEquals("2", newStereochemistryEl2.getAttributeValue(LOCANT_ATR)); in testMultipleRorSorEorZ()
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H A DComponentGeneration_ProcesslocantsTest.java144 assertEquals("5'", addedHydrogen.getAttributeValue(LOCANT_ATR)); in testAddedHydrogen()
156 assertEquals("7", addedHydrogen1.getAttributeValue(LOCANT_ATR)); in testAddedHydrogen2()
160 assertEquals("2", addedHydrogen2.getAttributeValue(LOCANT_ATR)); in testAddedHydrogen2()
256 assertEquals("5", addedHydrogen.getAttributeValue(LOCANT_ATR)); in testMultipleTypesTogether()
H A DStructureBuildingMethodsTest.java119 substituent.addAttribute(new Attribute(LOCANT_ATR, "4")); in phosphoLocantedSubstitution()
/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DWordRulesOmittedSpaceCorrector.java48 …if (firstSubOrbracket.getAttribute(LOCANT_ATR) == null && firstSubOrbracket.getAttribute(MULTIPLIE… in checkAndCorrectOmittedSpacesInDivalentFunctionalGroupRule()
97 if (firstChild.getAttribute(LOCANT_ATR) != null) { in checkAndCorrectOmittedSpaceEster()
102 if (subOrBracket.getAttribute(LOCANT_ATR) == null) { in checkAndCorrectOmittedSpaceEster()
143 if (substituentsAndBrackets.get(i).getAttribute(LOCANT_ATR)==null){ in allBarFirstSubstituentHaveLocants()
243 if (subOrBracket.getAttribute(LOCANT_ATR) != null){ in checkSuitabilityOfSubstituentForEsterFormation()
H A DComponentProcessor.java2292 if (suffix.getAttribute(LOCANT_ATR)==null){
2345 String locant = suffix.getAttributeValue(LOCANT_ATR);
2708 && previous.getAttribute(LOCANT_ATR) == null) {
2773 if(prev.getAttribute(LOCANT_ATR) != null) {
2872 String locant = heteroatom.getAttributeValue(LOCANT_ATR);
3847 if (lambdaConventionEl.getAttribute(LOCANT_ATR)!=null){ in applyLambdaConvention()
4627 suffix.getAttribute(LOCANT_ATR) == null && in isATerminalSuffix()
4725 if (substituent.getAttribute(LOCANT_ATR) != null) { in processBiochemicalLinkageDescriptors()
4739 if (elToAddAtrTo.getAttribute(LOCANT_ATR) !=null) { in processBiochemicalLinkageDescriptors()
4764 if (bracket.getAttribute(LOCANT_ATR) !=null){ in processBiochemicalLinkageDescriptors()
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H A DStructureBuildingMethods.java241 if (subBracketOrRoot.getAttribute(LOCANT_ATR) != null){ in performUnLocantedSubstitutiveOperations()
372 currentElement.getAttribute(LOCANT_ATR).setValue(locants[i]); in multiplyOutAndSubstitute()
402 if (subBracketOrRoot.getAttribute(LOCANT_ATR) != null){ in performUnlocantedSubstitutiveOperations()
515 String locant = subtractivePrefix.getAttributeValue(LOCANT_ATR); in resolveLocantedFeatures()
597 String locant = hydrogen.getAttributeValue(LOCANT_ATR); in resolveLocantedFeatures()
615 String locant = unsaturator.getAttributeValue(LOCANT_ATR); in resolveLocantedFeatures()
642 String locant = heteroatomEl.getAttributeValue(LOCANT_ATR); in resolveLocantedFeatures()
674 String suffixLocant = suffix.getAttributeValue(LOCANT_ATR); in acdNameSpiroIndicatedHydrogenBug()
2244 if (bracketOrSubOrRoot.getAttribute(LOCANT_ATR) != null) { in findAlternativeGroups()
2528 if (stereoChemistryElement.getAttribute(LOCANT_ATR) != null){ in addPrimesToLocantedStereochemistryElements()
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H A DStereochemistryHandler.java50 if (stereoChemistryElement.getAttributeValue(LOCANT_ATR)!=null){ in applyStereochemicalElements()
193 String locant = stereoChemistryEl.getAttributeValue(LOCANT_ATR); in assignStereoCentre()
288 String locant = stereoChemistryEl.getAttributeValue(LOCANT_ATR); in assignStereoBond()
450 if (stereoChemistryEl.getAttribute(LOCANT_ATR) != null) { in assignCisTransOnRing()
650 String locant = stereoChemistryEl.getAttributeValue(LOCANT_ATR); in assignAlphaBetaXiStereochem()
H A DStructureBuilder.java222 String locantForSubstituent = word.getAttributeValue(LOCANT_ATR); in buildEster()
462 String locantForSubstituent = currentWord.getAttributeValue(LOCANT_ATR); in buildFunctionalClassEster()
682 locantForFunctionalTerm.add(children.get(0).getAttributeValue(LOCANT_ATR)); in buildCarbonylDerivative()
684 else if (children.size()==2 && children.get(0).getAttribute(LOCANT_ATR)!=null ){ in buildCarbonylDerivative()
685 String locant =children.get(0).getAttributeValue(LOCANT_ATR); in buildCarbonylDerivative()
687 locantForFunctionalTerm.add(children.get(0).getAttributeValue(LOCANT_ATR)); in buildCarbonylDerivative()
688 children.get(0).removeAttribute(children.get(0).getAttribute(LOCANT_ATR)); in buildCarbonylDerivative()
1312 String locantForSubstituent = currentWord.getAttributeValue(LOCANT_ATR); in buildAcetal()
1425 String locant = ateWord.getAttributeValue(LOCANT_ATR); in buildAlcoholEster()
1509 String locant = word.getAttributeValue(LOCANT_ATR); in buildAmineDiConjunctiveSuffix()
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H A DFusedRingBuilder.java330 …if (unsaturator.getAttribute(LOCANT_ATR)==null && unsaturator.getAttributeValue(VALUE_ATR).equals(… in processPartiallyUnsaturatedHWSystems()
365 else if (unsaturators.get(0).getAttribute(LOCANT_ATR)!=null){ in aromatiseCyclicAlkane()
376 if (value2 !=2 || unsaturators.get(1).getAttribute(LOCANT_ATR)!=null){ in aromatiseCyclicAlkane()
1004 if (suffix.getAttribute(LOCANT_ATR)==null){ in locantsCouldApplyToHeteroatomPositions()
H A DComponentGenerator.java269 addedHydrogenElement.addAttribute(new Attribute(LOCANT_ATR, hydrogenLocant)); in processLocants()
831 indicatedHydrogenEl.addAttribute(new Attribute(LOCANT_ATR, locant)); in processIndicatedHydrogens()
915 …stereoChemEl.addAttribute(new Attribute(LOCANT_ATR, fixLocantCapitalisation(StringTools.removeDash… in processStereochemistryBracket()
996 stereoChemistryElement.addAttribute(new Attribute(LOCANT_ATR, possibleLocant.getValue())); in assignLocantUsingPreviousElementIfPresent()
1006 stereoChemistryElement.addAttribute(new Attribute(LOCANT_ATR, possibleLocant.getValue())); in processLocantAssigningForEndoExoSynAnti()
1032 stereoChemEl.addAttribute(new Attribute(LOCANT_ATR, locant)); in processUnbracketedAlphaBetaStereochemistry()
1125 locants.add(stereochemistryTerm.getAttributeValue(LOCANT_ATR)); in duplicateLocantFromStereoTermIfAdjacentToEneOrYlidene()
1340 heteroAtom.addAttribute(LOCANT_ATR, locant); in processLambdaConvention()
1347 newLambda.addAttribute(LOCANT_ATR, locant); in processLambdaConvention()
1362 heteroAtom.addAttribute(new Attribute(LOCANT_ATR, locant)); in processLambdaConvention()
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H A DXmlDeclarations.java265 static final String LOCANT_ATR = "locant"; field in XmlDeclarations
H A DFunctionalReplacement.java437 String locant = acidReplacingWord.getAttributeValue(LOCANT_ATR); in processAcidReplacingFunctionalClassNomenclatureFullWord()
910 suffix.addAttribute(new Attribute(LOCANT_ATR, locants[0])); in disambiguateMultipliedInfixMeaning()
921 newSuffix.getAttribute(LOCANT_ATR).setValue(locants[j]); in disambiguateMultipliedInfixMeaning()
H A DSuffixApplier.java378 String locant = suffix.getAttributeValue(LOCANT_ATR); in processCycleFormingSuffix()
453 String locant = suffix.getAttributeValue(LOCANT_ATR); in getFragAtomToUse()