com.chemaxon.overlap.wui.resources

Class MolConverter

java.lang.Object

com.chemaxon.overlap.wui.resources.MolConverter

@Path(value="molconverter")
public class MolConverter
extends Object

Expose CXN mol converter functionality for a single molecule.

Constructor Summary

Constructors

Constructor and Description
MolConverter()

Method Summary

Modifier and Type	Method and Description
MultiConversionResult	converMultiplePost(MultiConversionRequest req) Invoke multiple independent conversions.
ConversionResult	convert(String mol, String importOpts, String format, boolean binary, boolean clean2d) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).
ConversionResult	convertPost(ConversionRequest req) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).
ConversionResult	convertPost(String mol, String importOpts, String format, boolean binary, boolean clean2d) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).
byte[]	toCxBinFormat(String mol, String importOpts, String format) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).
byte[]	toCxBinFormatPost(String mol, String importOpts, String format) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).
String	toCxFormat(String mol, String importOpts, String format) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).
String	toCxFormatPost(String mol, String importOpts, String format) Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

MolConverter

public MolConverter()

Method Detail

convert

@GET
 @Path(value="convert")
 @Produces(value="application/json")
public ConversionResult convert(@QueryParam(value="mol")
                                                                                                  String mol,
                                                                                                  @QueryParam(value="importopts") @DefaultValue(value="")
                                                                                                  String importOpts,
                                                                                                  @QueryParam(value="f")
                                                                                                  String format,
                                                                                                  @QueryParam(value="binary") @DefaultValue(value="false")
                                                                                                  boolean binary,
                                                                                                  @QueryParam(value="clean2d") @DefaultValue(value="false")
                                                                                                  boolean clean2d)

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String). The response of this method is an object containing the converted structure and additional information.

Note that it is recommended to use POST requests with JSON (`application/json`) parameters (passed in the request body.)

Parameters:

mol - Molecule to convert. Input is parsed using MolImporter.importMol(java.lang.String) when no import option specified; otherwise using MolImporter.importMol(java.lang.String, java.lang.String)

importOpts - Import options or null/empty string

format - Format string to pass to MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String)

binary - Use binary format by invoking MolExporter.exportToBinFormat(chemaxon.struc.Molecule, java.lang.String) and base64 encoding the result

clean2d - Invoke Clean2D (Cleaner.clean(chemaxon.struc.MoleculeGraph, int)) on the imported structure

Returns:

Conversion results

Throws:

WuiBadRequestException - When import or export failed

convertPost

@POST
 @Path(value="convert")
 @Produces(value="application/json")
 @Consumes(value="application/x-www-form-urlencoded")
public ConversionResult convertPost(@FormParam(value="mol")
                                                                                                                                                             String mol,
                                                                                                                                                             @FormParam(value="importopts") @DefaultValue(value="")
                                                                                                                                                             String importOpts,
                                                                                                                                                             @FormParam(value="f")
                                                                                                                                                             String format,
                                                                                                                                                             @FormParam(value="binary") @DefaultValue(value="false")
                                                                                                                                                             boolean binary,
                                                                                                                                                             @FormParam(value="clean2d") @DefaultValue(value="false")
                                                                                                                                                             boolean clean2d)

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String). The response of this method is an object containing the converted structure and additional information.

Note that it is recommended to use POST requests with JSON (`application/json`) parameters (passed in the request body.)

Parameters:

mol - Molecule to convert. Input is parsed using MolImporter.importMol(java.lang.String) when no import option specified; otherwise using MolImporter.importMol(java.lang.String, java.lang.String)

importOpts - Import options or null/empty string

format - Format string to pass to MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String)

binary - Use binary format by invoking MolExporter.exportToBinFormat(chemaxon.struc.Molecule, java.lang.String) and base64 encoding the result

clean2d - Invoke Clean2D (Cleaner.clean(chemaxon.struc.MoleculeGraph, int)) on the imported structure

Returns:

Conversion results

Throws:

WuiBadRequestException - When import or export failed

convertPost

@POST
 @Path(value="convert")
 @Produces(value="application/json")
 @Consumes(value="application/json")
public ConversionResult convertPost(ConversionRequest req)

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String). The response of this method is an object containing the converted structure and additional information.

Parameters:

req - Conversion request

Returns:

Conversion results

Throws:

WuiBadRequestException - When import or export failed

converMultiplePost

@POST
 @Path(value="convert-multiple")
 @Produces(value="application/json")
 @Consumes(value="application/json")
public MultiConversionResult converMultiplePost(MultiConversionRequest req)

Invoke multiple independent conversions. Upon success the response is composed of the results of individual requests. Upon error the first request causing an error will be returned.

Parameters:

req - Multiple conversions request

Returns:

Conversion results

Throws:

WuiBadRequestException - on the first failed import or export conversion or when no conversion request is contained in the request object.

toCxFormat

@GET
 @Path(value="cxformat")
 @Produces(value="text/plain")
public String toCxFormat(@QueryParam(value="mol")
                                                                                      String mol,
                                                                                      @QueryParam(value="importopts") @DefaultValue(value="")
                                                                                      String importOpts,
                                                                                      @QueryParam(value="f")
                                                                                      String format)
                                                                               throws WuiBadRequestException

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String). The response of this method is the converted structure.

Parameters:

mol - Molecule to convert. Input is parsed using MolImporter.importMol(java.lang.String) when no import option specified; otherwise using MolImporter.importMol(java.lang.String, java.lang.String)

importOpts - Import options or null/empty string

format - Format string to pass to MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String)

Returns:

Converted structure

Throws:

WuiBadRequestException - When import or export failed

toCxFormatPost

@POST
 @Path(value="cxformat")
 @Consumes(value="application/x-www-form-urlencoded")
 @Produces(value="text/plain")
public String toCxFormatPost(@FormParam(value="mol")
                                                                                                                                                 String mol,
                                                                                                                                                 @FormParam(value="importopts") @DefaultValue(value="")
                                                                                                                                                 String importOpts,
                                                                                                                                                 @FormParam(value="f")
                                                                                                                                                 String format)
                                                                                                                                          throws WuiBadRequestException

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String). The response of this method is the converted structure.

Parameters:

mol - Molecule to convert. Input is parsed using MolImporter.importMol(java.lang.String) when no import option specified; otherwise using MolImporter.importMol(java.lang.String, java.lang.String)

importOpts - Import options or null/empty string

format - Format string to pass to MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String)

Returns:

Converted structure

Throws:

WuiBadRequestException - When import or export failed

toCxBinFormat

@GET
 @Path(value="cxbinformat")
 @Produces(value="application/octet-stream")
public byte[] toCxBinFormat(@QueryParam(value="mol")
                                                                                                          String mol,
                                                                                                          @QueryParam(value="importopts") @DefaultValue(value="")
                                                                                                          String importOpts,
                                                                                                          @QueryParam(value="f")
                                                                                                          String format)
                                                                                                   throws WuiBadRequestException

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).

Parameters:

mol - Molecule to convert. Input is parsed using MolImporter.importMol(java.lang.String) when no import option specified; otherwise using MolImporter.importMol(java.lang.String, java.lang.String)

importOpts - Import options or null/empty string

format - Format string to pass to MolExporter.exportToBinFormat(chemaxon.struc.Molecule, java.lang.String)

Returns:

Converted structure

Throws:

WuiBadRequestException - When import or export failed

toCxBinFormatPost

@POST
 @Path(value="cxbinformat")
 @Consumes(value="application/x-www-form-urlencoded")
 @Produces(value="application/octet-stream")
public byte[] toCxBinFormatPost(@FormParam(value="mol")
                                                                                                                                                                     String mol,
                                                                                                                                                                     @FormParam(value="importopts") @DefaultValue(value="")
                                                                                                                                                                     String importOpts,
                                                                                                                                                                     @FormParam(value="f")
                                                                                                                                                                     String format)
                                                                                                                                                              throws WuiBadRequestException

Convert a molecule using MolExporter.exportToFormat(chemaxon.struc.Molecule, java.lang.String).

Parameters:

mol - Molecule to convert. Input is parsed using MolImporter.importMol(java.lang.String) when no import option specified; otherwise using MolImporter.importMol(java.lang.String, java.lang.String)

importOpts - Import options or null/empty string

format - Format string to pass to MolExporter.exportToBinFormat(chemaxon.struc.Molecule, java.lang.String)

Returns:

Converted structure

Throws:

WuiBadRequestException - When import or export failed