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Operations | supportedOperations () const override |
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FileFormat * | newInstance () const override |
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std::string | identifier () const override |
| A unique identifier, used to retrieve formats programmatically. CML, XYZ, PDB etc. A runtime warning will be generated if the identifier is not unique.
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std::string | name () const override |
| The name of the format, should be short such as Chemical Markup Language, XYZ format, Protein Databank etc.
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std::string | description () const override |
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std::string | specificationUrl () const override |
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std::vector< std::string > | fileExtensions () const override |
| Get the file name extension(s) that the format supports reading.
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std::vector< std::string > | mimeTypes () const override |
| Get the MIME type(s) that the format supports reading.
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bool | read (std::istream &in, Core::Molecule &molecule) override |
| Read the given in stream and load it into molecule .
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bool | write (std::ostream &, const Core::Molecule &) override |
| Write to the given out stream the contents of molecule .
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bool | open (const std::string &fileName, Operation mode) |
| Open the specified file in Read or Write mode.
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Operation | mode () |
| The mode the format is currently operating in.
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bool | isMode (Operation isInMode) |
| Check if the supplied mode(s) is being used.
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void | close () |
| Close any opened file handles.
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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.
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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.
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bool | readFile (const std::string &fileName, Core::Molecule &molecule) |
| Read the given fileName and load it into molecule .
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bool | writeFile (const std::string &fileName, const Core::Molecule &molecule) |
| Write to the given fileName the contents of molecule .
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bool | readString (const std::string &string, Core::Molecule &molecule) |
| Read the given string and load it into molecule .
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bool | writeString (std::string &string, const Core::Molecule &molecule) |
| Write to the given string the contents of molecule .
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std::string | error () const |
| Get the error string, contains errors/warnings encountered.
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std::string | fileName () const |
| Get the file name (if known).
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void | setOptions (const std::string &options) |
| Set options for the file reader.
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std::string | options () const |
| Get the file format options, can be used to change file IO.
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virtual void | clear () |
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enum | Operation {
None = 0x0
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Read = 0x1
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Write = 0x2
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ReadWrite = Read | Write
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MultiMolecule = 0x4
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Stream = 0x10
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String = 0x20
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File = 0x40
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All = ReadWrite | MultiMolecule | Stream | String | File
} |
| Flags defining supported operations.
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typedef int | Operations |
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static bool | validateFileName (const std::string &fileName) |
| Validates the given file name.
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void | appendError (const std::string &errorString, bool newLine=true) |
| Append an error to the error string for the format.
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