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See:
Description
Interface Summary | |
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IInputState | Status of the input reader. |
IOutputState | Status of the output writer. |
IRawReader<T> |
Class Summary | |
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CompoundImageTools | Generates BufferedImage from smiles or compound. |
DelimitedFileFormat | File format for delimited files |
DelimitedFileReader | Reads delimited files (CSV, TXT) |
DelimitedFileWriter | Writes delimited files |
FileInputState | Use FileInputState.getReader(InputStream, String) to get a reader of the right type. |
FileOutputState | Use FileOutputState.getWriter(OutputStream, String) to get a writer of the right type. |
FileState | This is to be able to verify if a file has changed since it has been last processed by FileBatchProcessing |
FilesWithHeaderWriter | |
FileWithHeaderWriter | |
FilteredMDLReader | |
InteractiveIteratingMDLReader | A descendant of IteratingMDLReader able to ask for type of each SDF property |
IteratingChemObjectReaderWrapper | A wrapper for DefaultChemObjectReader . |
IteratingDelimitedFileReader | Iterating reader for delimited files. |
IteratingFileReader | A wrapper for all file readers. |
IteratingFilesWithHeaderReader | |
IteratingFolderReader<T,ItemReader extends IIteratingChemObjectReader> | |
IteratingMolFolderReader | |
IteratingXLSReader | Reads XLS files. |
MDLReader | Reads a molecule from the original MDL MOL or SDF file {cdk.cite DAL92}. |
MDLV2000ReaderExtended | Supports SGroups. |
MDLWriter | Copied here from CDK source tree in order to handle the aromatic bond issue (this code writes 4 as aromatic bond code); until a proper fix is available. |
MolPropertiesIOSetting | An IOSetting descendant to provide means for transforming property names. |
MultiNewlineFilterReader | |
MyIteratingMDLReader | Copied here (with corrections)until Bug 1758372 in CDK is fixed. |
PDFWriter | Exporting set of structures as PDF file. |
RandomAccessReader | Random access to text files of compounds. |
RandomAccessSDFReader | Random access of SDF file. |
RawIteratingFolderReader | |
RawIteratingMOLReader | |
RawIteratingReader<T> | |
RawIteratingSDFReader | |
RawIteratingWrapper<R extends IIteratingChemObjectReader> | |
ReaderFactoryExtended | |
SDFBrokenLineTerminationConverter | |
SGroupMDL2000Helper | Helper for MDL SGroups |
SimpleIOListener | |
XLSFileFormat | Microsoft Excel XLS file format. |
XLSFileWriter |
Enum Summary | |
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SGroupMDL2000Helper.SGROUP_CONNECTIVITY | |
SGroupMDL2000Helper.SGROUP_LINE | |
SGroupMDL2000Helper.SGROUP_POLYMER_TYPE | |
SGroupMDL2000Helper.SGROUP_TYPE |
Input output support. This is mainly an extension of The CDK io package in order to support .CSV and .TXT files.
CSV files and tab delimited .TXT files can be read/written by MS Excel :)
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