X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;ds=sidebyside;f=src%2Fjalview%2Fio%2FStructureFile.java;h=f498c1ee5c13b5915cabec4a1e56a8a7da55e466;hb=49ff0aa506eb0b2e031fa3e8d16337e0c8cf2508;hp=c816f6dac80251297c0d0b4fd772322d3f83f991;hpb=892e857760e779796e156b4fa36d97d8d31e73e1;p=jalview.git diff --git a/src/jalview/io/StructureFile.java b/src/jalview/io/StructureFile.java index c816f6d..f498c1e 100644 --- a/src/jalview/io/StructureFile.java +++ b/src/jalview/io/StructureFile.java @@ -30,7 +30,6 @@ import jalview.analysis.AlignSeq; import jalview.api.FeatureSettingsModelI; import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentAnnotation; -import jalview.datamodel.AlignmentAnnotation.TFType; import jalview.datamodel.AlignmentI; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; @@ -38,6 +37,7 @@ import jalview.datamodel.PDBEntry; import jalview.datamodel.PDBEntry.Type; import jalview.datamodel.SequenceI; import jalview.structure.StructureImportSettings; +import jalview.structure.StructureImportSettings.TFType; import mc_view.PDBChain; public abstract class StructureFile extends AlignFile @@ -68,6 +68,47 @@ public abstract class StructureFile extends AlignFile private boolean pdbIdAvailable; + private StructureImportSettings.TFType temperatureFactorType = TFType.DEFAULT; + + private String paeMatrix = null; + + private boolean alphaFoldModel; + + public void setPAEMatrix(String paeFilename) + { + paeMatrix = paeFilename; + } + + public String getPAEMatrix() + { + return paeMatrix; + } + + public boolean hasPAEMatrix() + { + return paeMatrix != null; + } + + public void setTemperatureFactorType(StructureImportSettings.TFType t) + { + this.temperatureFactorType = t; + } + + public StructureImportSettings.TFType getTemperatureFactorType() + { + return temperatureFactorType; + } + + public void setAlphafoldModel(boolean afm) + { + alphaFoldModel = afm; + } + + public boolean isAlphafoldModel() + { + return alphaFoldModel; + } + public StructureFile(Object inFile, DataSourceType sourceType) throws IOException { @@ -75,9 +116,11 @@ public abstract class StructureFile extends AlignFile } public StructureFile(Object inFile, DataSourceType sourceType, - AlignmentAnnotation.TFType tempfacType) throws IOException + StructureImportSettings.TFType tempfacType) throws IOException { - super(inFile, sourceType, tempfacType); + super(false, inFile, sourceType); + this.setTemperatureFactorType(tempfacType); + doParse(); } public StructureFile(FileParse fp) throws IOException @@ -101,7 +144,8 @@ public abstract class StructureFile extends AlignFile .isProcessSecondaryStructure(); this.externalSecondaryStructure = StructureImportSettings .isExternalSecondaryStructure(); - + this.temperatureFactorType = StructureImportSettings + .getTemperatureFactorType(); } public StructureFile(boolean parseImmediately, Object dataObject, @@ -325,6 +369,8 @@ public abstract class StructureFile extends AlignFile .setProcessSecondaryStructure(predictSecondaryStructure); StructureImportSettings .setExternalSecondaryStructure(externalSecondaryStructure); + StructureImportSettings + .setTemperatureFactorType(temperatureFactorType); Object jmf = constructor.newInstance(args); AlignmentI al = new Alignment((SequenceI[]) cl .getMethod("getSeqsAsArray", new Class[] {}).invoke(jmf));