OBText Class Reference
An object containing just text. More...
#include <openbabel/text.h>

Public Member Functions | |
OBText () | |
OBText (const std::string &text) | |
std::string | GetText () const |
std::string | GetText (std::string::size_type &pos, bool ToInsertOnly=false) const |
void | SetText (const std::string &text) |
virtual bool | Clear () |
virtual OBBase * | DoTransformations (const std::map< std::string, std::string > *, OBConversion *) |
template<class T > | |
T * | CastAndClear (bool clear=true) |
virtual const char * | GetTitle (bool replaceNewlines=true) const |
virtual void | SetTitle (const char *) |
Generic data handling methods (via OBGenericData) | |
bool | HasData (const std::string &) |
bool | HasData (const char *) |
bool | HasData (const unsigned int type) |
void | DeleteData (unsigned int type) |
void | DeleteData (OBGenericData *) |
void | DeleteData (std::vector< OBGenericData * > &) |
bool | DeleteData (const std::string &s) |
void | SetData (OBGenericData *d) |
void | CloneData (OBGenericData *d) |
size_t | DataSize () const |
OBGenericData * | GetData (const unsigned int type) |
OBGenericData * | GetData (const std::string &) |
OBGenericData * | GetData (const char *) |
std::vector< OBGenericData * > & | GetData () |
std::vector< OBGenericData * > | GetData (DataOrigin source) |
std::vector< OBGenericData * > | GetAllData (const unsigned int type) |
OBDataIterator | BeginData () |
OBDataIterator | EndData () |
Static Public Member Functions | |
static const char * | ClassDescription () |
Protected Attributes | |
std::vector< OBGenericData * > | _vdata |
Detailed Description
An object containing just text.
Constructor & Destructor Documentation
OBText | ( | ) | [inline] |
OBText | ( | const std::string & | text | ) | [inline] |
Member Function Documentation
std::string GetText | ( | ) | const [inline] |
- Returns:
- all the text
std::string GetText | ( | std::string::size_type & | pos, | |
bool | ToInsertOnly = false | |||
) | const [inline] |
- Returns:
- text from position
- Parameters:
-
pos up to, but not including, the line containing the next occurrence of "OPENBABEL_INSERT". pos is updated to the start of the next line. If "OPENBABEL_INSERT" is not found, and ToInsertOnly is false the text up to the end of the file is returned and pos is set to 0. If "OPENBABEL_INSERT" is not found, and ToInsertOnly is true an empty string is return and pos is unchaged.
Inserting OpenBabel output into boilerplate text. Suppose you wanted to insert XML output from OB into into a template XML document using the babel interface babel template.text inputfile.xxx outputfile.yyy The template file could contain a line:
and still be well-formed XML. The template file would be read by TextFormat and passed to the output as an OBText object. This could be processed in the output format's WriteChemObject() or WriteMolecule() in the following way (see cmlreactformat.cpp) OBText* ptext = dynamic_cast<OBText*>(pOb); if(ptext) { string::size_type pos = 0; pConv->GetOutStream() << ptext->GetText(pos); //Output text up to insertion point _text = ptext->GetText(pos); //Save text after insertion point to be output at the end }
void SetText | ( | const std::string & | text | ) | [inline] |
bool Clear | ( | void | ) | [virtual, inherited] |
Clear any and all data associated with this object.
This method can be called by OBConversion::Read() before reading data. Derived classes should be sure to call OBBase::Clear() to remove inherited generic data.
- Returns:
- Whether the call was successful.
- Since:
- version 2.1.
Reimplemented in OBAtom, OBMol, OBReaction, and OBResidue.
Referenced by OBResidue::Clear(), OBMol::Clear(), and OBAtom::Clear().
virtual OBBase* DoTransformations | ( | const std::map< std::string, std::string > * | , | |
OBConversion * | ||||
) | [inline, virtual, inherited] |
Perform a set of transformations specified by the user
Typically these are program options to filter or modify an object For example, see OBMol::DoTransformations() and OBMol::ClassDescription() Base type does nothing
Reimplemented in OBMol.
static const char* ClassDescription | ( | ) | [inline, static, inherited] |
- Returns:
- A list of descriptions of command-line options for DoTransformations()
Reimplemented in OBMol, and OBReaction.
T* CastAndClear | ( | bool | clear = true |
) | [inline, inherited] |
By default clears the object. Called from ReadMolecule of most format classes.
virtual const char* GetTitle | ( | bool | replaceNewlines = true |
) | const [inline, virtual, inherited] |
Base type does nothing Made virtual around r3535 to simplify code which passes around OBBase*.
Reimplemented in OBMol.
Referenced by OBMoleculeFormat::DoOutputOptions().
virtual void SetTitle | ( | const char * | ) | [inline, virtual, inherited] |
Reimplemented in OBMol.
Referenced by OBMoleculeFormat::DoOutputOptions().
bool HasData | ( | const std::string & | s | ) | [inherited] |
- Returns:
- whether the generic attribute/value pair exists
Referenced by OBMol::AddAtom(), OBDepict::DrawMolecule(), OBMol::FindAngles(), OBMol::FindLSSR(), OBMol::FindSSSR(), OBMol::FindTorsions(), OBForceField::GetAtomTypes(), OBForceField::GetConformers(), OBForceField::GetCoordinates(), OBMol::GetEnergies(), OBMol::GetEnergy(), OBMol::GetLSSR(), OBForceField::GetPartialCharges(), OBMol::GetSSSR(), OBBase::HasData(), OBDescriptor::MatchPairData(), OBMol::NewAtom(), OBMol::operator=(), OBMoleculeFormat::ReadChemObjectImpl(), and OBMol::SetEnergies().
bool HasData | ( | const char * | s | ) | [inherited] |
- Returns:
- whether the generic attribute/value pair exists
bool HasData | ( | const unsigned int | type | ) | [inherited] |
- Returns:
- whether the generic attribute/value pair exists, for a given OBGenericDataType
void DeleteData | ( | unsigned int | type | ) | [inherited] |
Delete any data matching the given OBGenericDataType.
Referenced by OBMol::AddAtom(), OBMol::BeginModify(), OpenBabel::CanonicalLabels(), OBDescriptor::DeleteProperties(), OBMol::EndModify(), OBMol::FindLSSR(), OBMol::FindSSSR(), OBMol::NewAtom(), OBMol::RenumberAtoms(), and OBForceField::Setup().
void DeleteData | ( | OBGenericData * | gd | ) | [inherited] |
Delete the given generic data from this object.
void DeleteData | ( | std::vector< OBGenericData * > & | vg | ) | [inherited] |
Delete all of the given generic data from this object.
bool DeleteData | ( | const std::string & | s | ) | [inherited] |
Deletes the generic data with the specified attribute, returning false if not found.
void SetData | ( | OBGenericData * | d | ) | [inline, inherited] |
Adds a data object; does nothing if d==NULL.
Referenced by OBMol::AddBond(), OBGastChrg::AssignPartialCharges(), OpenBabel::CalcSignedVolume(), OBMol::DoTransformations(), OBAtom::Duplicate(), AliasData::Expand(), OBMol::FindAngles(), OBMol::FindLSSR(), OBMol::FindSSSR(), OBMol::FindTorsions(), OBForceField::GetAtomTypes(), OBForceField::GetConformers(), OBForceField::GetCoordinates(), OBMol::GetEnergies(), OBMol::GetEnergy(), OBMol::GetFormula(), OBMol::GetLSSR(), OBMol::GetNextFragment(), OBForceField::GetPartialCharges(), OBMol::GetSSSR(), OBMoleculeFormat::MakeCombinedMolecule(), OBMol::operator=(), OBDescriptor::PredictAndSave(), OBMol::SetEnergies(), and OBMol::SetFormula().
void CloneData | ( | OBGenericData * | d | ) | [inherited] |
Adds a copy of a data object; does nothing if d == NULL
- Since:
- version 2.2
Referenced by OBMol::AddBond().
size_t DataSize | ( | ) | const [inline, inherited] |
- Returns:
- the number of OBGenericData items attached to this molecule.
OBGenericData * GetData | ( | const unsigned int | type | ) | [inherited] |
- Returns:
- the first matching data for a given type from OBGenericDataType or NULL if nothing matches
Referenced by OpenBabel::CalcSignedVolume(), OpenBabel::CorrectChirality(), OBDepict::DrawMolecule(), AliasData::Expand(), OBDescriptor::FilterCompare(), OpenBabel::GetAtomSymClass(), OBForceField::GetAtomTypes(), OBForceField::GetConformers(), OBForceField::GetCoordinates(), OBMol::GetNextFragment(), OBForceField::GetPartialCharges(), OBDescriptor::GetValues(), OBMoleculeFormat::MakeCombinedMolecule(), OBMolAngleIter::OBMolAngleIter(), OBMolRingIter::OBMolRingIter(), OBMolTorsionIter::OBMolTorsionIter(), OBMol::operator=(), and OBDescriptor::PredictAndSave().
OBGenericData * GetData | ( | const std::string & | s | ) | [inherited] |
- Returns:
- any data matching the given attribute name or NULL if nothing matches
- the value given an attribute name
OBGenericData * GetData | ( | const char * | s | ) | [inherited] |
- Returns:
- any data matching the given attribute name or NULL if nothing matches
- the value given an attribute name
std::vector<OBGenericData*>& GetData | ( | ) | [inline, inherited] |
- Returns:
- all data, suitable for iterating
Referenced by OBMol::BeginModify(), OBMol::DoTransformations(), OBBase::GetData(), OBMol::GetEnergies(), OBMol::GetEnergy(), OBMol::GetFormula(), OBMol::GetLSSR(), OBMol::GetSSSR(), OBMol::SetEnergies(), and OBMol::SetFormula().
std::vector< OBGenericData * > GetData | ( | DataOrigin | source | ) | [inherited] |
- Returns:
- all data with a specific origin, suitable for iterating
std::vector< OBGenericData * > GetAllData | ( | const unsigned int | type | ) | [inherited] |
- Returns:
- the all matching data for a given type from OBGenericDataType or an empty vector if nothing matches
- Since:
- version 2.2
Referenced by OpenBabel::CanonicalLabels(), OBBuilder::CorrectStereoAtoms(), and OBBuilder::CorrectStereoBonds().
OBDataIterator BeginData | ( | ) | [inline, inherited] |
- Returns:
- An iterator pointing to the beginning of the data
Referenced by OBMol::AddAtom(), OBMol::AddBond(), OBAtom::Duplicate(), OBMoleculeFormat::MakeCombinedMolecule(), OBMol::NewAtom(), and OBMol::operator=().
OBDataIterator EndData | ( | ) | [inline, inherited] |
- Returns:
- An iterator pointing to the end of the data
Referenced by OBMol::AddAtom(), OBMol::AddBond(), OBAtom::Duplicate(), OBMoleculeFormat::MakeCombinedMolecule(), OBMol::NewAtom(), and OBMol::operator=().
Member Data Documentation
std::vector<OBGenericData*> _vdata [protected, inherited] |
Custom data.
Referenced by OBBase::Clear(), OBBase::CloneData(), OBBase::DeleteData(), OBAtom::Duplicate(), OBBase::GetAllData(), OBBase::GetData(), OBBase::HasData(), OBBond::OBBond(), OBMol::OBMol(), and OBResidue::OBResidue().
The documentation for this class was generated from the following file: