public class GamessReader extends DefaultChemObjectReader
Expected behaviour:
The "GamessReader" object is able to read GAMESS output log file format.
Limitations:
This reader was developed from a small set of
example log files, and therefore, is not guaranteed to properly read all
GAMESS output. If you have problems, please contact the author of this code,
not the developers of GAMESS.
Implementation
Available feature(s):
References:
GAMESS is a
quantum chemistry program by Gordon research group atIowa State University.
IChemObjectReader.Mode
Modifier and Type | Field and Description |
---|---|
static boolean |
ANGSTROM_UNIT
Boolean constant used to specify that the coordinates are given in Ångstrom units.
|
static double |
BOHR_TO_ANGSTROM
Double constant that contains the conversion factor from Bohr unit to
Ångstrom unit.
|
static boolean |
BOHR_UNIT
Boolean constant used to specify that the coordinates are given in Bohr units.
|
errorHandler, mode
Constructor and Description |
---|
GamessReader() |
GamessReader(InputStream input) |
GamessReader(Reader inputReader)
Constructs a new "GamessReader" object given a "Reader" object as input.
|
Modifier and Type | Method and Description |
---|---|
boolean |
accepts(Class<? extends IChemObject> classObject)
Returns whether the given
IChemObject can be read or written. |
void |
close()
Closes this IChemObjectIO's resources.
|
IResourceFormat |
getFormat()
Returns the
IResourceFormat class for this IO class. |
<T extends IChemObject> |
read(T object)
Reads an IChemObject of type "object" from input.
|
void |
setReader(InputStream input)
Sets the InputStream from which this ChemObjectReader should read
the contents.
|
void |
setReader(Reader reader)
Sets the Reader from which this ChemObjectReader should read
the contents.
|
fireFrameRead, handleError, handleError, handleError, handleError, setErrorHandler, setReaderMode
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
public static final boolean BOHR_UNIT
public static final double BOHR_TO_ANGSTROM
public static final boolean ANGSTROM_UNIT
public GamessReader(Reader inputReader)
The "Reader" object may be an instantiable object from the "Reader"
hierarchy.
For more detail about the "Reader" objects that are really accepted
by this "GamessReader" see accepts(IChemObject)
method
documentation.
inputReader
- The "Reader" object given as input parameter.accepts(Class)
,
Reader
public GamessReader(InputStream input)
public GamessReader()
public IResourceFormat getFormat()
IChemObjectIO
IResourceFormat
class for this IO class.public void setReader(Reader reader) throws CDKException
IChemObjectReader
CDKException
public void setReader(InputStream input) throws CDKException
IChemObjectReader
CDKException
public boolean accepts(Class<? extends IChemObject> classObject)
IChemObjectIO
IChemObject
can be read or written.classObject
- IChemObject
of which is tested if it can be handled.IChemObject
can be handled.public <T extends IChemObject> T read(T object) throws CDKException
ISimpleChemObjectReader
object
- the type of object to returnCDKException
- it is thrown if
the type of information is not available from
the inputpublic void close() throws IOException
IChemObjectIO
IOException
- when the wrapper IO class cannot be closed.Copyright © 2021. All rights reserved.