$darkmode
DENOPTIM
Public Member Functions | Private Attributes | List of all members
denoptim.molecularmodeling.ChemicalObjectModelTest Class Reference

Unit test for ChemicalObjectModel. More...

Collaboration diagram for denoptim.molecularmodeling.ChemicalObjectModelTest:
[legend]

Public Member Functions

void testUpdateXYZFromINT_FirstAtomAtOrigin () throws Exception
 
void testUpdateXYZFromINT_SecondAtomAlongZAxis () throws Exception
 
void testUpdateXYZFromINT_ThirdAtomWithAngle () throws Exception
 
void testUpdateXYZFromINT_FourthAtomWithDihedral () throws Exception
 
void testUpdateXYZFromINT_ChiralityOne () throws Exception
 
void testUpdateXYZFromINT_ChiralityMinusOne () throws Exception
 
void testUpdateXYZFromINT () throws Exception
 

Private Attributes

Logger logger = Logger.getLogger("TestLogger")
 

Detailed Description

Unit test for ChemicalObjectModel.

Author
Marco Foscato

Definition at line 47 of file ChemicalObjectModelTest.java.

Member Function Documentation

◆ testUpdateXYZFromINT()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT ( ) throws Exception

Definition at line 336 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.constants.DENOPTIMConstants.FLOATCOMPARISONTOLERANCE, denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

◆ testUpdateXYZFromINT_ChiralityMinusOne()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_ChiralityMinusOne ( ) throws Exception

Definition at line 289 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

◆ testUpdateXYZFromINT_ChiralityOne()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_ChiralityOne ( ) throws Exception

Definition at line 239 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

◆ testUpdateXYZFromINT_FirstAtomAtOrigin()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_FirstAtomAtOrigin ( ) throws Exception

Definition at line 54 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

◆ testUpdateXYZFromINT_FourthAtomWithDihedral()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_FourthAtomWithDihedral ( ) throws Exception

Definition at line 183 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

◆ testUpdateXYZFromINT_SecondAtomAlongZAxis()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_SecondAtomAlongZAxis ( ) throws Exception

Definition at line 85 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

◆ testUpdateXYZFromINT_ThirdAtomWithAngle()

void denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_ThirdAtomWithAngle ( ) throws Exception

Definition at line 127 of file ChemicalObjectModelTest.java.

References denoptim.molecularmodeling.zmatrix.ZMatrix.addAtom(), denoptim.molecularmodeling.ChemicalObjectModelTest.logger, and denoptim.molecularmodeling.ChemicalObjectModel.updateXYZFromINT().

Here is the call graph for this function:

Member Data Documentation

◆ logger

Logger denoptim.molecularmodeling.ChemicalObjectModelTest.logger = Logger.getLogger("TestLogger")
private

Definition at line 49 of file ChemicalObjectModelTest.java.

Referenced by denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT(), denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_ChiralityMinusOne(), denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_ChiralityOne(), denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_FirstAtomAtOrigin(), denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_FourthAtomWithDihedral(), denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_SecondAtomAlongZAxis(), and denoptim.molecularmodeling.ChemicalObjectModelTest.testUpdateXYZFromINT_ThirdAtomWithAngle().

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