public bool nist_sch(uint[] mass, uint[] abund, ref int resCnt, ref uint[] peakNums /*, ref String[] formula */)
{
NistPathHelper.IsUseMainLib = true;
NistPathHelper.FULL_PATH_TO_MAIN_LIBRARY = @"G:\NIST11\MSSEARCH\mainlib";
NistPathHelper.FULL_PATH_TO_WORK_DIR = @"G:\Nist11";
NistPathHelper.FULL_PATH_TO_USER_LIBRARY = @"G:\Nist11\MSSEARCH\userlib1";
NistPathHelper.FULL_PATH_TO_REPLICATE_LIBRARY = @"G:\Nist11\MSSEARCH\replib";
NistPathHelper.FULL_PATH_TO_USER_LIBRARY2 = @"G:\Nist11\MSSEARCH\userlib2";
// uint[] mass = new uint[] { 91, 92, 78, 77 };
// uint[] abund = new uint[] { 100, 67, 34, 30 };
string path = NistPathHelper.FULL_PATH_TO_MAIN_LIBRARY;
if (!System.IO.Directory.Exists(path))
{
return(false);
}
List <NistMSData> nistSearchedDatas = NistLibSeach.Search(mass, abund, 1);
int count = nistSearchedDatas.Count;
if (count <= 0)
{
return(false);
}
peakNums = new uint[count];
// formula = new String[count];
for (int i = 0; i < nistSearchedDatas.Count; i++)
{
peakNums[i] = nistSearchedDatas[i].PeakNum;
// formula[i] = nistSearchedDatas[i].Formula;
}
resCnt = count;
return(true);
}
public bool nist_sch_one(uint[] mass, uint[] abund, ref int resCnt, ref int CAS, ref uint MW,
ref int Match, ref String name, ref uint PeakNum, ref int Prob, ref int R_Match, ref String formula)
{
NistPathHelper.IsUseMainLib = true;
NistPathHelper.FULL_PATH_TO_MAIN_LIBRARY = @"G:\NIST11\MSSEARCH\mainlib";
NistPathHelper.FULL_PATH_TO_WORK_DIR = @"G:\Nist11";
NistPathHelper.FULL_PATH_TO_USER_LIBRARY = @"G:\Nist11\MSSEARCH\userlib1";
NistPathHelper.FULL_PATH_TO_REPLICATE_LIBRARY = @"G:\Nist11\MSSEARCH\replib";
NistPathHelper.FULL_PATH_TO_USER_LIBRARY2 = @"G:\Nist11\MSSEARCH\userlib2";
string path = NistPathHelper.FULL_PATH_TO_MAIN_LIBRARY;
if (!System.IO.Directory.Exists(path))
{
return(false);
}
List <NistMSData> sch_data = NistLibSeach.Search(mass, abund, 1);
int count = sch_data.Count;
if (count <= 0)
{
return(false);
}
resCnt = count;
CAS = sch_data[0].CAS;
MW = sch_data[0].MW;
Match = sch_data[0].Match;
name = sch_data[0].Name;
// name = (byte[])((Array)Encoding.Default.GetBytes(s_name));
PeakNum = sch_data[0].PeakNum;
Prob = sch_data[0].Prob;
R_Match = sch_data[0].R_Match;
formula = sch_data[0].Formula;
// formula = (byte[])((Array)Encoding.Default.GetBytes(s_formula));
return(true);
}
