@@ -212,27 +212,6 @@ public void initializeTaskAndReduceData(boolean autoGenerateNominalMasses) {
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task .setFiltersForUnknownNames (filtersForUnknownNames );
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((Task ) task ).initializeTaskAndReduceData (autoGenerateNominalMasses );
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-
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- // // four passes needed for percolating results
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- // task.updateAllExpressions(true);
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- // task.setChanged(true);
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- // task.setupSquidSessionSpecsAndReduceAndReport(false);
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- //
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- // // autogenerate task basics for type General = Ratio mode
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- // if (autoGenerateNominalMasses && projectType.equals(GENERAL)) {
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- // List<String> nominalMasses = new ArrayList<>();
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- // for (SquidSpeciesModel ssm : task.getSquidSpeciesModelList()) {
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- // // no background assumed
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- // String proposedNominalMassName
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- // = new BigDecimal(task.getMapOfIndexToMassStationDetails()
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- // .get(ssm.getMassStationIndex())
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- // .getIsotopeAMU()).setScale(1, RoundingMode.HALF_UP).toPlainString();
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- // nominalMasses.add(proposedNominalMassName);
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- // }
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- // this.task.setNominalMasses(nominalMasses);
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- //
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- // ((Task) task).initializeSquidSpeciesModelsRatioMode(true, false, true, false);
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- // }
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}
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}
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@@ -764,16 +743,51 @@ public void preProcessPrawnSession() {
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}
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- public void removeRunsFromPrawnFile (List <Run > runs ) {
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+ public void removeSpotsFromDataFile (List <String > spotNames ) {
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+ List <Run > runs = new ArrayList <>();
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+ for (int i = 0 ; i < spotNames .size (); i ++) {
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+ Run run = retrieveRunBySpotName (spotNames .get (i ));
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+ if (run != null ) {
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+ runs .add (run );
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+ }
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+ }
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+ removeRunsFromPrawnFile (runs );
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+ }
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- prawnFile .getRun ().removeAll (runs );
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- removedRuns .addAll (runs );
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+ private Run retrieveRunBySpotName (String spotName ) {
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+ Run retVal = null ;
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+ List <Run > runs = prawnFile .getRun ();
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+ for (Run run : runs ) {
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+ if (run .getPar ().get (0 ).getValue ().compareToIgnoreCase (spotName ) == 0 ) {
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+ retVal = run ;
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+ break ;
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+ }
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+ }
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+ return retVal ;
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+ }
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- // save new count
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- prawnFile .setRuns ((short ) prawnFile .getRun ().size ());
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+ public List <String > retrieveRemovedSpotsByName () {
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+ List <String > retVal = new ArrayList <>();
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+ for (Run run : removedRuns ) {
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+ retVal .add (run .getPar ().get (0 ).getValue ());
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+ }
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+ return retVal ;
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+ }
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- // update fractions
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- ((Task ) task ).setupSquidSessionSkeleton ();
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+ public void removeRunsFromPrawnFile (List <Run > runs ) {
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+ if (removedRuns == null ){
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+ removedRuns = new ArrayList <>();
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+ }
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+ if (runs .size () > 0 ) {
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+ prawnFile .getRun ().removeAll (runs );
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+ removedRuns .addAll (runs );
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+
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+ // save new count
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+ prawnFile .setRuns ((short ) prawnFile .getRun ().size ());
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+
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+ // update fractions
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+ ((Task ) task ).setupSquidSessionSkeleton ();
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+ }
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}
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public void restoreRunToPrawnFile (Run run ) {
@@ -788,6 +802,13 @@ public void restoreRunToPrawnFile(Run run) {
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((Task ) task ).setupSquidSessionSkeleton ();
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}
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+ public void restoreSpotToDataFile (String spotName ) {
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+ Run run = retrieveRunBySpotName (spotName );
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+ if (run != null ) {
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+ restoreRunToPrawnFile (run );
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+ }
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+ }
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+
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public void restoreAllRunsToPrawnFile () {
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prawnFile .getRun ().addAll (removedRuns );
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