Inheritance diagram for GaussianCube:
Public Member Functions | |
| 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. More... | |
| std::string | name () const override |
| The name of the format, should be short such as Chemical Markup Language, XYZ format, Protein Databank etc. More... | |
| 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 &out, const Core::Molecule &molecule) override |
Write to the given out stream the contents of molecule. More... | |
 Public Member Functions inherited from FileFormat | |
| virtual Operations | supportedOperations () const =0 |
| 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... | |
| virtual bool | read (std::istream &in, Core::Molecule &molecule)=0 |
Read the given in stream and load it into molecule. More... | |
| virtual bool | write (std::ostream &out, const Core::Molecule &molecule)=0 |
Write to the given out stream the contents of 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 () |
| virtual FileFormat * | newInstance () const =0 |
| virtual std::string | identifier () const =0 |
| A unique identifier, used to retrieve formats programatically. CML, XYZ, PDB etc. A runtime warning will be generated if the identifier is not unique. More... | |
| virtual std::string | name () const =0 |
| The name of the format, should be short such as Chemical Markup Language, XYZ format, Protein Databank etc. More... | |
| virtual std::string | description () const =0 |
| virtual std::string | specificationUrl () const =0 |
| virtual std::vector< std::string > | fileExtensions () const =0 |
| Get the file name extension(s) that the format supports reading. More... | |
| virtual std::vector< std::string > | mimeTypes () const =0 |
| Get the MIME type(s) that the format supports reading. More... | |
Additional Inherited Members | |
| Public Types inherited from FileFormat | |
| 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 |
| Protected Member Functions inherited from FileFormat | |
| void | appendError (const std::string &errorString, bool newLine=true) |
| Append an error to the error string for the format. More... | |
Member Function Documentation
◆ supportedOperations()
|
overridevirtual |
- Returns
- Operation flags defining the capabilities of this format.
Implements FileFormat.
◆ newInstance()
|
overridevirtual |
Create a new instance of the file format class. Ownership passes to the caller.
Implements FileFormat.
◆ identifier()
|
overridevirtual |
Implements FileFormat.
◆ name()
|
overridevirtual |
Implements FileFormat.
◆ description()
|
overridevirtual |
A description of the format, along with any relevant help text for users.
Implements FileFormat.
◆ specificationUrl()
|
overridevirtual |
The URL of the format specification if available (relevant web page/wiki otherwise).
Implements FileFormat.
◆ fileExtensions()
|
overridevirtual |
- Returns
- A vector containing a list of extensions (in lower case).
Implements FileFormat.
◆ mimeTypes()
|
overridevirtual |
- Returns
- A vector containing a list of MIME type(s) (in lower case).
Implements FileFormat.
◆ read()
|
overridevirtual |
- Parameters
-
in The input file stream. molecule The molecule the data will be read into.
- Returns
- True on success, false on failure.
Implements FileFormat.
◆ write()
|
overridevirtual |
- Parameters
-
out The output stream to write the data to. molecule The contents of this molecule will be written to output.
- Returns
- True on success, false on failure.
Implements FileFormat.
The documentation for this class was generated from the following file:
- gaussiancube.h
