public static MotifHitSpreadsheetRecord Header()
{
var result = new MotifHitSpreadsheetRecord()
{
Motif = "Motif",
//MotifTooGeneral = "Very General?",
TotalTimesSuggestedFwd = "Total Fwd",
TotalTimesSuggestedRev = "Total Rev",
TotalTimesSuggestedMix = "Total Mix",
TotalTimesSuggestedOverall = "Total Overall",
//TotalTimesSuggestedFwdInHeterodimers = "Total Fwd In Heterodimers",
//TotalTimesSuggestedRevInHeterodimers = "Total Rev In Heterodimers",
//TotalTimesSuggestedMixInHeterodimers = "Total Mix In Heterodimers",
//TotalTimesSuggestedFwdInHomodimers = "Total Fwd In Homodimers",
//TotalTimesSuggestedRevInHomodimers = "Total Rev In Homodimers",
//TotalTimesSuggestedMixInHomodimers = "Total Mix In Homodimers",
TotalDatabaseHitsPdb = "PDB Hits",
TotalDatabaseSequencesPdb = "PDB Seq",
TotalDatabaseHitsUniProtKbSwissProt = "SwissProt Hits",
TotalDatabaseSequencesUniProtKbSwissProt = "SwissProt Seq",
TotalDatabaseHitsUniProtKbTrEmbl = "TrEMBL Hits",
TotalDatabaseSequencesUniProtKbTrEmbl = "TrEMBL Seq",
TotalDatabaseHitsOverall = "Overall Hits",
TotalSequencesOverall = "Overall Seq",
};
return(result);
}
public static List <MotifHitSpreadsheetRecord> MotifRecordList(Dictionary <string, MotifCounter> motifDistinctWithCount)
{
if (motifDistinctWithCount == null)
{
throw new ArgumentNullException(nameof(motifDistinctWithCount));
}
var result = new List <MotifHitSpreadsheetRecord>();
foreach (var kvp in motifDistinctWithCount)
{
var motif = kvp.Key;
var motifCounter = kvp.Value;
ProproteinInterfaceMatchSet pdb = null;
ProproteinInterfaceMatchSet sp = null;
ProproteinInterfaceMatchSet tr = null;
var tasks = new List <Task>()
{
Task.Run(() => pdb = ProproteinInterfaceServiceClient.LoadProproteinInterfaceResponse(new ScanProproteinInterfaceParameters()
{
sig = motif, db = ScanProproteinInterfaceParameters.TargetProteinDatabases.ProteinDataBank
})),
Task.Run(() => sp = ProproteinInterfaceServiceClient.LoadProproteinInterfaceResponse(new ScanProproteinInterfaceParameters()
{
sig = motif, db = ScanProproteinInterfaceParameters.TargetProteinDatabases.UniProtKbSwissProt
})),
Task.Run(() => tr = ProproteinInterfaceServiceClient.LoadProproteinInterfaceResponse(new ScanProproteinInterfaceParameters()
{
sig = motif, db = ScanProproteinInterfaceParameters.TargetProteinDatabases.UniProtKbTrEmbl
})),
};
Task.WaitAll(tasks.Where(t => !t.IsCompleted && !t.IsCanceled && !t.IsFaulted).ToArray());
var totalPdbMatch = pdb != null?ProteinDataBankFileOperations.NullableTryParseInt32(pdb.NMatch) : null;
if (totalPdbMatch == null)
{
totalPdbMatch = -1;
}
var totalSpMatch = sp != null?ProteinDataBankFileOperations.NullableTryParseInt32(sp.NMatch) : null;
if (totalSpMatch == null)
{
totalSpMatch = -1;
}
var totalTrMatch = tr != null?ProteinDataBankFileOperations.NullableTryParseInt32(tr.NMatch) : null;
if (totalTrMatch == null)
{
totalTrMatch = -1;
}
var totalMatchOverall = ((totalPdbMatch > -1 ? totalPdbMatch : 0) + (totalSpMatch > -1 ? totalSpMatch : 0) + (totalTrMatch > -1 ? totalTrMatch : 0));
if (totalPdbMatch == -1 && totalSpMatch == -1 && totalTrMatch == -1)
{
totalMatchOverall = -1;
}
var totalPdbSeq = pdb != null?ProteinDataBankFileOperations.NullableTryParseInt32(pdb.NSeq) : null;
if (totalPdbSeq == null)
{
totalPdbSeq = -1;
}
var totalSpSeq = sp != null?ProteinDataBankFileOperations.NullableTryParseInt32(sp.NSeq) : null;
if (totalSpSeq == null)
{
totalSpSeq = -1;
}
var totalTrSeq = tr != null?ProteinDataBankFileOperations.NullableTryParseInt32(tr.NSeq) : null;
if (totalTrSeq == null)
{
totalTrSeq = -1;
}
var totalSeqOverall = ((totalPdbSeq > -1 ? totalPdbSeq : 0) + (totalSpSeq > -1 ? totalSpSeq : 0) + (totalTrSeq > -1 ? totalTrSeq : 0));
if (totalPdbSeq == -1 && totalSpSeq == -1 && totalTrSeq == -1)
{
totalSeqOverall = -1;
}
var totalTimesOverall = (motifCounter.TotalFwd + motifCounter.TotalRev + motifCounter.TotalMix);
var record = new MotifHitSpreadsheetRecord()
{
Motif = kvp.Key,
//MotifTooGeneral = "" + kvp.Value.MotifTooGeneral,
TotalTimesSuggestedFwd = "" + motifCounter.TotalFwd,
TotalTimesSuggestedRev = "" + motifCounter.TotalRev,
TotalTimesSuggestedMix = "" + motifCounter.TotalMix,
TotalTimesSuggestedOverall = "" + totalTimesOverall,
//TotalTimesSuggestedFwdInHeterodimers = "" + motifCounter.TotalFwdInHeterodimers,
//TotalTimesSuggestedRevInHeterodimers = "" + motifCounter.TotalRevInHeterodimers,
//TotalTimesSuggestedMixInHeterodimers = "" + motifCounter.TotalMixInHeterodimers,
//TotalTimesSuggestedFwdInHomodimers = "" + motifCounter.TotalFwdInHomodimers,
//TotalTimesSuggestedRevInHomodimers = "" + motifCounter.TotalRevInHomodimers,
//TotalTimesSuggestedMixInHomodimers = "" + motifCounter.TotalMixInHomodimers,
TotalDatabaseHitsPdb = "" + totalPdbMatch,
TotalDatabaseSequencesPdb = "" + totalPdbSeq,
TotalDatabaseHitsUniProtKbSwissProt = "" + totalSpMatch,
TotalDatabaseSequencesUniProtKbSwissProt = "" + totalSpSeq,
TotalDatabaseHitsUniProtKbTrEmbl = "" + totalTrMatch,
TotalDatabaseSequencesUniProtKbTrEmbl = "" + totalTrSeq,
TotalDatabaseHitsOverall = "" + totalMatchOverall,
TotalSequencesOverall = "" + totalSeqOverall,
};
result.Add(record);
}
return(result);
}
