org.jmol.adapter.readers.more
public class AdfReader extends AtomSetCollectionReader
Molecular coordinates, energies, and normal coordinates of vibrations are read. Each set of coordinates is added to the ChemFile in the order they are found. Energies and vibrations are associated with the previously read set of coordinates.
This reader was developed from a small set of example output files, and therefore, is not guaranteed to properly read all ADF output. If you have problems, please contact the author of this code, not the developers of ADF.
Version: 1.0
Field Summary | |
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String | energy |
Method Summary | |
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AtomSetCollection | readAtomSetCollection(BufferedReader reader)
Read the ADF output.
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void | readCoordinates()
Reads a set of coordinates
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void | readFrequencies()
Reads a set of vibrations.
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Parameters: reader input stream
Returns: a ChemFile with the coordinates, energies, and vibrations.
Throws: Exception if an I/O error occurs
Throws: Exception if an I/O error occurs