/// <summary>
/// Load data into PubChem database
/// PubChem assay data files are downloaded from the PubChem site:
/// http://pubchem.ncbi.nlm.nih.gov/ using a program like SmartFTP.
/// The files are in GNU Zip (.gz) format and can be unzipped with
/// the following gzip commands:
/// c:\gzip\gzip -d c:\pubchem\bioassay\csv\description\*.gz
/// c:\gzip\gzip -d c:\pubchem\bioassay\csv\data\*.gz
/// After downloading and decompression this method can be called on the files.
/// </summary>
/// <param name="args"></param>
/// <returns></returns>
public static string LoadData(
string aid)
{
int recCount = 0;
string mtName = "PubChem_aid_" + aid;
MetaTable mt = MetaTableCollection.Get(mtName);
if (mt == null)
{
return("Failed to get metatable");
}
// if (Math.Sqrt(4) == 2) goto UpdateCids;
string fileName = PubChemAssayDirectory + @"\CSV\Data\" + aid + ".csv";
StreamReader sr;
try { sr = new StreamReader(fileName); }
catch (Exception ex) { return("File not found: " + fileName); }
string header = sr.ReadLine(); // read headers line
List <string> headers = Csv.SplitCsvString(header);
int cidIdx = -1;
for (cidIdx = 0; cidIdx < headers.Count; cidIdx++)
{
if (headers[cidIdx].ToUpper() == "PUBCHEM_CID")
{
break;
}
}
if (cidIdx >= headers.Count)
{
sr.Close();
return("PUBCHEM_CID column not found in data headers");
}
Dictionary <string, MetaColumn> mcd = new Dictionary <string, MetaColumn>();
foreach (MetaColumn mc2 in mt.MetaColumns)
{
mcd[mc2.Name.ToUpper()] = mc2; // build dict for quick metacolumn lookup
}
DbConnectionMx conn = DbConnectionMx.MapSqlToConnection(ref PubChemWarehouseTable);
conn.BeginTransaction(); // do multiple updates per transaction
GenericDwDao dao = new GenericDwDao(
PubChemWarehouseTable, // table for results
PubChemWarehouseSeq); // sequence to use
dao.BufferInserts(true); // buffer inserts for better speed
SequenceDao.SetCacheSize(PubChemWarehouseSeq, 100); // number of ids to cache locally from sequence
//string progressMsg = "Deleting existing data...";
int i1 = dao.DeleteTable(Int32.Parse(mt.TableFilterValues[0]), true);
//if (Progress.CancelRequested())
//{
// dao.Dispose();
// return "Cancelled during data delete";
//}
//Progress.Show("Loading file...");
recCount = 0;
int t1 = 0;
while (true)
{
int t2 = TimeOfDay.Milliseconds();
if (t2 - t1 > 1000)
{
if (Progress.CancelRequested)
{
dao.ExecuteBufferedInserts();
conn.Commit();
conn.Close();
sr.Close();
Progress.Hide();
return(recCount.ToString() + " rows loaded");
}
Progress.Show("Loading file (" + recCount.ToString() + ") ...");
t1 = t2;
}
string rec = sr.ReadLine();
if (rec == null)
{
break;
}
List <string> vals = Csv.SplitCsvString(rec);
int cid;
try { cid = Int32.Parse(vals[cidIdx]); } // get compound id
catch (Exception ex)
{
string txtCid = vals[cidIdx];
if (txtCid == null)
{
txtCid = "";
}
DebugLog.Message("Load PubChem bad CID " + txtCid + ", AID = " + aid);
continue;
}
long rslt_grp_id = dao.GetNextIdLong(); // id to hold row together
for (int vi = 0; vi < vals.Count; vi++)
{
string s = vals[vi];
if (s == "")
{
continue;
}
string[] sa = rec.Split(',');
if (vi >= headers.Count)
{
continue;
}
string mcName = headers[vi].ToUpper();
if (mcName.Length > 26)
{
mcName = mcName.Substring(0, 26); // limit length to 26
}
if (mcName == "PUBCHEM_CID")
{
continue;
}
if (Lex.IsInteger(mcName))
{
mcName = "R_" + mcName; // result number
}
MetaColumn mc = mcd[mcName];
if (mc == null)
{
continue;
}
AnnotationVo vo = new AnnotationVo();
vo.rslt_grp_id = rslt_grp_id;
if (mc.DataType == MetaColumnType.String)
{
vo.rslt_val_txt = s;
}
else if (mc.DataType == MetaColumnType.Number || mc.DataType == MetaColumnType.Integer)
{
try
{
vo.rslt_val_nbr = Convert.ToDouble(s);
}
catch (Exception e) { continue; } // just continue if bad
}
else if (mc.DataType == MetaColumnType.Date)
{
s = DateTimeMx.Normalize(s);
if (s == null)
{
continue;
}
vo.rslt_val_dt = DateTimeMx.NormalizedToDateTime(s);
}
else if (mc.Name == "PUBCHEM_ACTIVITY_OUTCOME") // activity outcome is a dict value stored as an integer
{
try
{
vo.rslt_val_nbr = Convert.ToInt32(s);
}
catch (Exception e) { continue; } // just continue if bad
}
else if (mc.DataType == MetaColumnType.Hyperlink ||
mc.DataType == MetaColumnType.DictionaryId)
{
vo.rslt_val_txt = s;
}
else
{
continue;
}
vo.ext_cmpnd_id_nbr = cid;
vo.ext_cmpnd_id_txt = cid.ToString();
vo.mthd_vrsn_id = Int32.Parse(mt.TableFilterValues[0]);
vo.rslt_typ_id = Int32.Parse(mc.PivotValues[0]);
vo.chng_op_cd = "I";
vo.chng_usr_id = Security.UserInfo.UserName;
dao.Insert(vo);
} // end of field loop
recCount++;
if (recCount % 100 == 0)
{ // commit after group of updates
dao.ExecuteBufferedInserts();
conn.Commit();
conn.BeginTransaction(); // do multiple updates per transaction
}
} // end of record loop
dao.ExecuteBufferedInserts();
conn.Commit();
conn.Close();
dao.Dispose();
sr.Close();
//UpdateCids: // Add any missing CIDs under method 1000000
Progress.Show("Updating CID table...");
string sql =
"INSERT INTO " + PubChemWarehouseTable + "(ext_cmpnd_id_nbr,rslt_id,mthd_vrsn_id,rslt_typ_id,rslt_grp_id) " +
"SELECT ext_cmpnd_id_nbr, " + PubChemWarehouseSeq + ".NEXTVAL,1000000,0,0 " +
"FROM ( " +
"SELECT UNIQUE ext_cmpnd_id_nbr " +
"FROM " + PubChemWarehouseTable + " r1 " +
"WHERE mthd_vrsn_id = " + aid + " " +
"AND NOT EXISTS ( " +
" SELECT * " +
"FROM " + PubChemWarehouseTable + " r2 " +
"WHERE mthd_vrsn_id = 1000000 " +
"AND r2.ext_cmpnd_id_nbr = r1.ext_cmpnd_id_nbr) " +
"and rownum <= 10000)";
DbCommandMx drd = new DbCommandMx();
drd.Prepare(sql);
drd.BeginTransaction();
int newCids = 0;
while (true)
{
int addedCids = drd.ExecuteNonReader();
if (addedCids == 0)
{
break;
}
newCids += addedCids;
drd.Commit();
drd.BeginTransaction(); // do multiple updates per transaction
Progress.Show("Updating CID table (" + newCids.ToString() + ")...");
}
drd.Dispose();
Progress.Hide();
return(recCount.ToString() + " rows loaded for AID " + aid + " plus " + newCids.ToString() + " new CIDs");
}
private static Alert DeserializeHeaderOld(
UserObject uo,
bool fast)
{
string[] sa;
Alert a = new Alert();
a.Id = uo.Id;
//if (uo.Description.Trim().Length > 0 && uo.Description.Split('\t').Length == 2)
//{ // sometimes the desc contains just the queryId \t lastNewDate
// sa = uo.Description.Split('\t');
// string qidString = sa[0].Substring(sa[0].IndexOf(" ") + 1);
// a.QueryObjId = int.Parse(qidString);
// a.LastNewData = DateTimeEx.DateTimeParseUS(sa[1]);
// return a;
//}
if (uo.Description.Trim().Length > 0)
{ // have old new-style info?
try
{
sa = uo.Description.Split('\t');
a.Owner = sa[0];
a.QueryObjId = Int32.Parse(sa[1]);
a.Interval = Int32.Parse(sa[2]);
a.MailTo = sa[3];
if (a.MailTo == null || a.MailTo.Trim().Length == 0) // need to get email address
{
a.MailTo = Security.GetUserEmailAddress(a.Owner);
}
a.LastCheck = DateTimeMx.NormalizedToDateTime(sa[4]);
a.NewCompounds = Int32.Parse(sa[5]);
a.ChangedCompounds = Int32.Parse(sa[6]);
a.TotalCompounds = Int32.Parse(sa[7]);
a.NewRows = Int32.Parse(sa[8]);
a.TotalRows = Int32.Parse(sa[9]);
if (sa.Length > 10)
{
a.CheckTablesWithCriteriaOnly = bool.Parse(sa[10]);
}
if (sa.Length > 11)
{
a.LastNewData = DateTimeMx.NormalizedToDateTime(sa[11]);
}
}
catch (Exception ex) { throw new Exception(ex.Message, ex); } // debug
}
else // old style alert, get partial header info
{
a.Owner = uo.Owner;
a.QueryObjId = Int32.Parse(uo.Name.Substring(uo.Name.IndexOf("_") + 1));
a.Interval = 1; // assume just 1 day
if (!fast)
{
try // get old last check date
{
Query q = QbUtil.ReadQuery(a.QueryObjId);
if (q.AlertInterval > 0)
{
a.Interval = q.AlertInterval;
}
sa = uo.Content.Split('\t');
a.LastCheck = DateTimeMx.NormalizedToDateTime(sa[4]);
}
catch (Exception ex) { string msg = ex.Message; }
}
a.MailTo = Security.GetUserEmailAddress(a.Owner); // need to get email address
}
return(a);
}
