Open Babel: OBText Class Reference

Public Member Functions | Static Public Member Functions | Protected Attributes

# OBText Class Reference

An object containing just text. More...

`#include <openbabel/text.h>`

Inheritance diagram for OBText:

List of all members.

## 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().

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 OBDepict::DrawMolecule(), OBForceField::GetAtomTypes(), OBForceField::GetConformers(), OBForceField::GetCoordinates(), OBMol::GetEnergies(), OBMol::GetEnergy(), OBForceField::GetPartialCharges(), OBDescriptor::MatchPairData(), OBMol::operator=(), 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 OpenBabel::CanonicalLabels(), OBDescriptor::DeleteProperties(), and OBMol::RenumberAtoms().

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 OBGastChrg::AssignPartialCharges(), OpenBabel::CalcSignedVolume(), OBForceField::GetAtomTypes(), OBForceField::GetConformers(), OBForceField::GetCoordinates(), OBMol::GetEnergies(), OBMol::GetEnergy(), OBMol::GetNextFragment(), OBForceField::GetPartialCharges(), OBMoleculeFormat::MakeCombinedMolecule(), OBDescriptor::PredictAndSave(), and OBMol::SetEnergies().

void CloneData | ( | OBGenericData * | d ) | `[inherited]`

Adds a copy of a data object; does nothing if d == NULL

Since:
  version 2.2

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(), 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::GetEnergies(), OBMol::GetEnergy(), and OBMol::SetEnergies().

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 OBAtom::Duplicate(), OBMoleculeFormat::MakeCombinedMolecule(), and OBMol::operator=().

OBDataIterator EndData | ( | ) | `[inline, inherited]`

Returns:
  An iterator pointing to the end of the data

Referenced by OBAtom::Duplicate(), OBMoleculeFormat::MakeCombinedMolecule(), and OBMol::operator=().

## Member Data Documentation

std::vector<OBGenericData*> _vdata`[protected, inherited]`

Custom data.

Referenced by OBMol::OBMol().

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

- text.h

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