Open Babel: generic.h File Reference

Classes | Namespaces | Typedefs | Enumerations

# generic.h File Reference

Handle generic data classes. Custom data for atoms, bonds, etc. More...

`#include <openbabel/babelconfig.h>`
`#include <string>`
`#include <vector>`
`#include <map>`
`#include <openbabel/math/spacegroup.h>`
`#include <openbabel/obutil.h>`
`#include <openbabel/base.h>`

Go to the source code of this file.

## Classes
class | OBCommentData
| Used to store a comment string (can be multiple lines long) More...
class | OBExternalBond
| Used to store information on an external bond (e.g., SMILES fragments) More...
class | OBExternalBondData
| Used to store information on external bonds (e.g., in SMILES fragments) More...
class | OBPairData
| Used to store arbitrary text attribute/value relationships. More...
class | OBPairTemplate< ValueT >
| Used to store arbitrary attribute/value relationsips of any type. More...
class | OBSetData
| Used to store arbitrary attribute/set relationships. Should be used to store a set of OBGenericData based on an attribute. More...
class | OBVirtualBond
| Used to temporarily store bonds that reference an atom that has not yet been added to a molecule. More...
class | OBRingData
| Used to store the SSSR set (filled in by OBMol::GetSSSR()) More...
class | OBUnitCell
| Used for storing information about periodic boundary conditions with conversion to/from translation vectors and (a, b, c, alpha, beta, gamma) More...
class | OBConformerData
| Used to hold data on conformers or geometry optimization steps. More...
class | OBSymmetryData
| Used to hold the point-group and/or space-group symmetry. More...
class | OBTorsion
| Used to hold the torsion data for a single rotatable bond and all four atoms around it. More...
class | OBTorsionData
| Used to hold torsions as generic data for OBMol. More...
class | OBAngle
| Used to hold the 3 atoms in an angle and the angle itself. More...
class | OBAngleData
| Used to hold all angles in a molecule as generic data for OBMol. More...
class | OBChiralData
| Used to hold chiral inforamtion about the atom as OBGenericData. More...
class | OBSerialNums
| Defines a map between serial numbers (e.g., in a PDB file) and OBAtom objects inside a molecule. More...
class | OBVibrationData
| Used to hold the normal modes of a molecule, etc. More...
class | OBDOSData
| Used to hold density of states information. More...
class | OBOrbital
| Used to store energy, occupation, and orbital symmetry of a particular orbital. More...
class | OBOrbitalData
| Used to hold information about orbital energies. More...
class | OBElectronicTransitionData
| Used to hold information about electronic transitions. More...
class | OBRotationData
| Used to hold the rotational constants and symmetry numbers. More...
class | OBVectorData
| Used to hold a 3D vector item (e.g., a dipole moment) More...
class | OBMatrixData
| Used to hold a 3x3 matrix item (e.g., a quadrupole moment) More...
## Namespaces
namespace | OpenBabel
## Typedefs
typedef OBPairTemplate< int > | OBPairInteger
typedef OBPairTemplate< double > | OBPairFloatingPoint
## Enumerations
enum | atomreftype { output, input, calcvolume }

## Detailed Description

Handle generic data classes. Custom data for atoms, bonds, etc.

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