public String get3DBuilderSDFilePath(ThreeDBuilder builder) { if (clusteringData != null && clusteringData.getThreeDBuilder() != null && clusteringData.getThreeDBuilder() != builder) throw new IllegalStateException( "set appropriate builder, already set " + clusteringData.getThreeDBuilder() + " != " + builder); return Settings.destinationFile(dataset, getEncodedSettings(builder) + ".3d.sdf"); }
private String getEncodedSettingsIncludingFeatures(Algorithm... algs) { if (algs == null) algs = new Algorithm[0]; if (ArrayUtil.indexOf(algs, clusteringData.getThreeDBuilder()) == -1) for (CompoundProperty p : clusteringData.getFeatures()) if (p.getCompoundPropertySet().isSensitiveTo3D()) { algs = ArrayUtil.concat( Algorithm.class, algs, new Algorithm[] {clusteringData.getThreeDBuilder()}); break; } String skipped = ""; if (clusteringData.isSkippingRedundantFeatures()) skipped += "skippedRedundantFeatures"; return CompoundPropertyUtil.getSetMD5( clusteringData.getFeatures(), skipped + getEncodedSettings(algs)); }
public String getFeatureValuesFilePath(CompoundPropertySet cps) { String enc = (clusteringData != null && cps.isSensitiveTo3D()) ? (getEncodedSettings(clusteringData.getThreeDBuilder()) + ".") : ""; return Settings.destinationFile(dataset, enc + cps.getNameIncludingParams()); }