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C# (CSharp) OBMol.GetEnergy Examples
Programming Language:
C# (CSharp)
Class/Type:
OBMol
Method/Function:
GetEnergy
Examples at hotexamples.com:
1
C# (CSharp) OBMol.GetEnergy - 1 examples found
. These are the top rated real world C# (CSharp) examples of
OBMol.GetEnergy
extracted from open source projects. You can rate examples to help us improve the quality of examples.
Frequently Used Methods
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GetAtom(14)
Atoms(14)
AddBond(7)
Bonds(6)
DeleteHydrogens(5)
AddAtom(5)
AddExplicitHydrogens(3)
BeginModify(3)
EndModify(3)
GetSSSR(2)
GetBond(2)
GetFormula(2)
DeleteAtom(2)
AddHydrogens(2)
GetExactMass(2)
GetEnergy(1)
GetMolWt(1)
DeleteNonPolarHydrogens(1)
GetData(1)
GetAllData(1)
FindChiralCenters(1)
CloneData(1)
CharacteristicPolynomial(1)
AddResidue(1)
GetTitle(1)
Frequently Used Methods
GetAtom (14)
Atoms (14)
AddBond (7)
Bonds (6)
DeleteHydrogens (5)
AddAtom (5)
AddExplicitHydrogens (3)
BeginModify (3)
EndModify (3)
GetSSSR (2)
Frequently Used Methods
GetBond (2)
GetFormula (2)
DeleteAtom (2)
AddHydrogens (2)
GetExactMass (2)
GetEnergy (1)
GetMolWt (1)
DeleteNonPolarHydrogens (1)
GetData (1)
GetAllData (1)
FindChiralCenters (1)
CloneData (1)
CharacteristicPolynomial (1)
AddResidue (1)
GetTitle (1)
Frequently Used Methods
FindChiralCenters (1)
CloneData (1)
CharacteristicPolynomial (1)
AddResidue (1)
GetTitle (1)
Example #1
0
Show file
public double GetEnergy() { return(mol.GetEnergy()); }