AvogadroLibs
1.96.0
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Public Member Functions | |
void | outputAll () |
Operations | supportedOperations () const override |
FileFormat * | newInstance () const override |
std::string | identifier () const override |
A unique identifier, used to retrieve formats programatically. CML, XYZ, PDB etc. A runtime warning will be generated if the identifier is not unique. | |
std::string | name () const override |
The name of the format, should be short such as Chemical Markup Language, XYZ format, Protein Databank etc. | |
std::string | description () const override |
std::string | specificationUrl () const override |
std::vector< std::string > | fileExtensions () const override |
Get the file name extension(s) that the format supports reading. More... | |
std::vector< std::string > | mimeTypes () const override |
Get the MIME type(s) that the format supports reading. More... | |
bool | read (std::istream &in, Core::Molecule &molecule) override |
Read the given in stream and load it into molecule . More... | |
bool | write (std::ostream &, const Core::Molecule &) override |
Write to the given out stream the contents of molecule . More... | |
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bool | open (const std::string &fileName, Operation mode) |
Open the specified file in Read or Write mode. More... | |
Operation | mode () |
The mode the format is currently operating in. More... | |
bool | isMode (Operation isInMode) |
Check if the supplied mode(s) is being used. More... | |
void | close () |
Close any opened file handles. | |
bool | readMolecule (Core::Molecule &molecule) |
Read in a molecule, if there are no molecules to read molecule will be empty. This can be used to read in one or more molecules from a given file using repeated calls for each molecule. More... | |
bool | writeMolecule (const Core::Molecule &molecule) |
Write out a molecule. This can be used to write one or more molecules to a given file using repeated calls for each molecule. More... | |
bool | readFile (const std::string &fileName, Core::Molecule &molecule) |
Read the given fileName and load it into molecule . More... | |
bool | writeFile (const std::string &fileName, const Core::Molecule &molecule) |
Write to the given fileName the contents of molecule . More... | |
bool | readString (const std::string &string, Core::Molecule &molecule) |
Read the given string and load it into molecule . More... | |
bool | writeString (std::string &string, const Core::Molecule &molecule) |
Write to the given string the contents of molecule . More... | |
std::string | error () const |
Get the error string, contains errors/warnings encountered. More... | |
std::string | fileName () const |
Get the file name (if known). More... | |
void | setOptions (const std::string &options) |
Set options for the file reader. More... | |
std::string | options () const |
Get the file format options, can be used to change file IO. More... | |
virtual void | clear () |
Additional Inherited Members | |
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enum | Operation { None = 0x0 , Read = 0x1 , Write = 0x2 , ReadWrite = Read | Write , MultiMolecule = 0x4 , Stream = 0x10 , String = 0x20 , File = 0x40 , All = ReadWrite | MultiMolecule | Stream | String | File } |
Flags defining supported operations. | |
typedef int | Operations |
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void | appendError (const std::string &errorString, bool newLine=true) |
Append an error to the error string for the format. More... | |
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overridevirtual |
Implements FileFormat.
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overridevirtual |
Create a new instance of the file format class. Ownership passes to the caller.
Implements FileFormat.
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overridevirtual |
A description of the format, along with any relevant help text for users.
Implements FileFormat.
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overridevirtual |
The URL of the format specification if available (relevant web page/wiki otherwise).
Implements FileFormat.
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overridevirtual |
Implements FileFormat.
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overridevirtual |
Implements FileFormat.
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overridevirtual |
in | The input file stream. |
molecule | The molecule the data will be read into. |
Implements FileFormat.
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overridevirtual |
out | The output stream to write the data to. |
molecule | The contents of this molecule will be written to output. |
Implements FileFormat.