denoptim.utils.FormulaUtilsTest Class Reference

Unit test for tools manipulating molecular formulae. More...

Collaboration diagram for denoptim.utils.FormulaUtilsTest:

Public Member Functions
void	testParseFormula () throws Exception
void	testParsingOfCSDFormula () throws Exception
void	testCompareFormulaAndElementalAnalysis () throws Exception

Private Member Functions
String	convertSimpleToString (Map< String, Double > elCounts)
String	convertToString (Map< String, ArrayList< Double > > elCounts)

Private Attributes
IChemObjectBuilder	builder = SilentChemObjectBuilder.getInstance()
	Private builder of atom containers. More...

Detailed Description

Unit test for tools manipulating molecular formulae.

Author

Marco Foscato

Definition at line 43 of file FormulaUtilsTest.java.

Member Function Documentation

convertSimpleToString()

String denoptim.utils.FormulaUtilsTest.convertSimpleToString ( Map< String, Double >  elCounts )

private

Definition at line 149 of file FormulaUtilsTest.java.

References denoptim.utils.GeneralUtils.getEnglishFormattedDecimal().

Referenced by denoptim.utils.FormulaUtilsTest.testParseFormula().

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convertToString()

String denoptim.utils.FormulaUtilsTest.convertToString ( Map< String, ArrayList< Double > >  elCounts )

private

Definition at line 165 of file FormulaUtilsTest.java.

References denoptim.utils.GeneralUtils.getEnglishFormattedDecimal().

Referenced by denoptim.utils.FormulaUtilsTest.testParsingOfCSDFormula().

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testCompareFormulaAndElementalAnalysis()

void denoptim.utils.FormulaUtilsTest.testCompareFormulaAndElementalAnalysis

(

)

throws Exception

Definition at line 185 of file FormulaUtilsTest.java.

References denoptim.utils.FormulaUtilsTest.builder, and denoptim.utils.FormulaUtils.compareFormulaAndElementalAnalysis().

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testParseFormula()

void denoptim.utils.FormulaUtilsTest.testParseFormula

(

)

throws Exception

Definition at line 54 of file FormulaUtilsTest.java.

References denoptim.utils.FormulaUtilsTest.convertSimpleToString(), and denoptim.utils.FormulaUtils.parseFormula().

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testParsingOfCSDFormula()

void denoptim.utils.FormulaUtilsTest.testParsingOfCSDFormula

(

)

throws Exception

Definition at line 81 of file FormulaUtilsTest.java.

References denoptim.utils.FormulaUtilsTest.convertToString(), and denoptim.utils.FormulaUtils.parseCSDFormula().

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Member Data Documentation

builder

IChemObjectBuilder denoptim.utils.FormulaUtilsTest.builder = SilentChemObjectBuilder.getInstance()

private

Private builder of atom containers.

Definition at line 49 of file FormulaUtilsTest.java.

Referenced by denoptim.utils.FormulaUtilsTest.testCompareFormulaAndElementalAnalysis().

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The documentation for this class was generated from the following file:

• /github/workspace/src/test/java/denoptim/utils/FormulaUtilsTest.java