$darkmode
DENOPTIM
Public Member Functions | List of all members
denoptim.molecularmodeling.zmatrix.ZMatrixTest Class Reference

Unit test for ZMatrix. More...

Public Member Functions

ZMatrix getTestZMatrix () throws Exception
 
void testAddAtom () throws Exception
 
void testRemoveAtom () throws Exception
 
void testGetIndex () throws Exception
 
void testGetBondRefAtomIndex () throws Exception
 
void testGetAngleRefAtomIndex () throws Exception
 
void testGetAngle2RefAtomIndex () throws Exception
 
void testGetChiralFlag () throws Exception
 
void testGetIdAndSetId () throws Exception
 
void testAddBond () throws Exception
 
void testDelBond () throws Exception
 
void testGetBondsToAdd () throws Exception
 
void testGetBondsToDel () throws Exception
 
void testClone () throws Exception
 
void testGetBondData () throws Exception
 
void testZMatrixEquals () throws Exception
 
void testZMatrixHashCode () throws Exception
 
void testGetZMatrixFromIAC () throws Exception
 
void testUsesProperDihedral () throws Exception
 

Detailed Description

Unit test for ZMatrix.

Author
Marco Foscato

Definition at line 45 of file ZMatrixTest.java.

Member Function Documentation

◆ getTestZMatrix()

ZMatrix denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix ( ) throws Exception

Definition at line 50 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), and denoptim.molecularmodeling.zmatrix.ZMatrix.addBond().

Referenced by denoptim.molecularmodeling.zmatrix.ZMatrixTest.testAddAtom(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testAddBond(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testClone(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testDelBond(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetAngle2RefAtomIndex(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetAngleRefAtomIndex(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondData(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondRefAtomIndex(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondsToAdd(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondsToDel(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetChiralFlag(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetIdAndSetId(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetIndex(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testRemoveAtom(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testUsesProperDihedral(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.testZMatrixEquals(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.testZMatrixHashCode().

Here is the call graph for this function:
Here is the caller graph for this function:

◆ testAddAtom()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testAddAtom ( ) throws Exception

Definition at line 97 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtomCount(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBondCount(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testAddBond()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testAddBond ( ) throws Exception

Definition at line 217 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addBond(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBondCount(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testClone()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testClone ( ) throws Exception

Definition at line 272 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.clone(), denoptim.molecularmodeling.zmatrix.ZMatrixBond.getAtm1(), denoptim.molecularmodeling.zmatrix.ZMatrixBond.getAtm2(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtomCount(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBond(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBondCount(), denoptim.molecularmodeling.zmatrix.ZMatrix.getId(), denoptim.molecularmodeling.zmatrix.ZMatrixAtom.getId(), denoptim.molecularmodeling.zmatrix.ZMatrixAtom.getSymbol(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix(), and denoptim.molecularmodeling.zmatrix.ZMatrixAtom.getType().

Here is the call graph for this function:

◆ testDelBond()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testDelBond ( ) throws Exception

Definition at line 229 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.delBond(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBondCount(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetAngle2RefAtomIndex()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetAngle2RefAtomIndex ( ) throws Exception

Definition at line 170 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getAngle2RefAtomIndex(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetAngleRefAtomIndex()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetAngleRefAtomIndex ( ) throws Exception

Definition at line 157 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getAngleRefAtomIndex(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetBondData()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondData ( ) throws Exception

Definition at line 305 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getBondData(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetBondRefAtomIndex()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondRefAtomIndex ( ) throws Exception

Definition at line 144 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getBondRefAtomIndex(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetBondsToAdd()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondsToAdd ( ) throws Exception

Definition at line 241 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getBondsToAdd(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetBondsToDel()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetBondsToDel ( ) throws Exception

Definition at line 257 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getBondsToDel(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetChiralFlag()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetChiralFlag ( ) throws Exception

Definition at line 184 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getChiralFlag(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetIdAndSetId()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetIdAndSetId ( ) throws Exception

Definition at line 199 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getId(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix(), and denoptim.molecularmodeling.zmatrix.ZMatrix.setId().

Here is the call graph for this function:

◆ testGetIndex()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetIndex ( ) throws Exception

Definition at line 128 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getIndex(), and denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix().

Here is the call graph for this function:

◆ testGetZMatrixFromIAC()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testGetZMatrixFromIAC ( ) throws Exception

Definition at line 363 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getAtomCount(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBondCount(), and denoptim.molecularmodeling.zmatrix.ZMatrix.getZMatrixFromIAC().

Here is the call graph for this function:

◆ testRemoveAtom()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testRemoveAtom ( ) throws Exception

Definition at line 116 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtomCount(), denoptim.molecularmodeling.zmatrix.ZMatrix.getBondCount(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix(), and denoptim.molecularmodeling.zmatrix.ZMatrix.removeAtom().

Here is the call graph for this function:

◆ testUsesProperDihedral()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testUsesProperDihedral ( ) throws Exception

Definition at line 399 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix(), and denoptim.molecularmodeling.zmatrix.ZMatrix.usesProperDihedral().

Here is the call graph for this function:

◆ testZMatrixEquals()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testZMatrixEquals ( ) throws Exception

Definition at line 320 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.zmatrix.ZMatrix.addBond(), denoptim.molecularmodeling.zmatrix.ZMatrix.delBond(), denoptim.molecularmodeling.zmatrix.ZMatrix.getAtom(), denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix(), and denoptim.molecularmodeling.zmatrix.ZMatrix.setId().

Here is the call graph for this function:

◆ testZMatrixHashCode()

void denoptim.molecularmodeling.zmatrix.ZMatrixTest.testZMatrixHashCode ( ) throws Exception

Definition at line 348 of file ZMatrixTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrixTest.getTestZMatrix(), denoptim.molecularmodeling.zmatrix.ZMatrix.hashCode(), and denoptim.molecularmodeling.zmatrix.ZMatrix.setId().

Here is the call graph for this function:
The documentation for this class was generated from the following file: