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Merge pull request #106 from denoptim-project/devel_smilesReader_fix
Devel smiles reader fix
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,80 @@ | ||
| package denoptim.io; | ||
|
|
||
| import java.util.List; | ||
| import org.openscience.cdk.io.formats.IChemFormatMatcher; | ||
| import org.openscience.cdk.io.formats.IChemFormatMatcher.MatchResult; | ||
| import org.openscience.cdk.tools.DataFeatures; | ||
|
|
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| /** | ||
| * Class for recognizing file containing a list of SMILES . | ||
| * One SMILES string in each line. Since SMILES do not contain spaces, absence | ||
| * of spaces in each line is the condition identifying a list of SMILES | ||
| * | ||
| * @author marcellocostamagna | ||
| * | ||
| */ | ||
| public class SMILESListFormat implements IChemFormatMatcher | ||
| { | ||
| @Override | ||
| public String getReaderClassName() | ||
| { | ||
| return null; | ||
| } | ||
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|
||
| @Override | ||
| public String getWriterClassName() | ||
| { | ||
| return null; | ||
| } | ||
|
|
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| @Override | ||
| public int getSupportedDataFeatures() | ||
| { | ||
| return DataFeatures.NONE; | ||
| } | ||
|
|
||
| @Override | ||
| public int getRequiredDataFeatures() | ||
| { | ||
| return DataFeatures.NONE; | ||
| } | ||
|
|
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| @Override | ||
| public String getFormatName() | ||
| { | ||
| return "SMILES List"; | ||
| } | ||
|
|
||
| @Override | ||
| public String getPreferredNameExtension() | ||
| { | ||
| return null; | ||
| } | ||
|
|
||
| @Override | ||
| public String[] getNameExtensions() | ||
| { | ||
| return new String[0]; | ||
| } | ||
|
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||
| @Override | ||
| public String getMIMEType() | ||
| { | ||
| return "chemical/smiles"; | ||
| } | ||
|
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||
| @Override | ||
| public boolean isXMLBased() | ||
| { | ||
| return false; | ||
| } | ||
|
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| @Override | ||
| public final MatchResult matches(final List<String> lines) { | ||
| for (int i = 0; i < Math.min(lines.size(), 100); i++) | ||
| { | ||
| if (lines.get(i).contains(" ")) return NO_MATCH; | ||
| } | ||
| return new MatchResult(true, this, lines.size()); | ||
| } | ||
| } |
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