/// <summary>
/// Read next record
/// </summary>
/// <returns></returns>
public AnnotationVo Read()
{
if (!DbCmd.Read())
{
return(null);
}
AnnotationVo vo = new AnnotationVo();
vo.rslt_id = DbCmd.GetLong(0);
vo.rslt_grp_id = DbCmd.GetLong(1);
vo.ext_cmpnd_id_txt = DbCmd.GetString(2);
vo.ext_cmpnd_id_nbr = DbCmd.GetInt(3);
vo.src_db_id = DbCmd.GetInt(4);
vo.mthd_vrsn_id = DbCmd.GetInt(5);
vo.rslt_typ_id = DbCmd.GetLong(6);
vo.rslt_val_prfx_txt = DbCmd.GetString(7);
vo.rslt_val_nbr = DbCmd.GetDouble(8);
vo.uom_id = DbCmd.GetInt(9);
vo.rslt_val_txt = DbCmd.GetString(10);
vo.rslt_val_dt = DbCmd.GetDateTime(11);
vo.cmnt_txt = DbCmd.GetString(12);
vo.dc_lnk = DbCmd.GetString(13);
vo.chng_op_cd = DbCmd.GetString(14);
vo.chng_usr_id = DbCmd.GetString(15);
return(vo);
}
/// <summary>
/// Calculate & persist library stats
/// </summary>
/// <returns></returns>
public static string UpdateLibraryStatistics()
{
Dictionary <string, MetaTableStats> stats = new Dictionary <string, MetaTableStats>();
int libId;
long cnt;
DateTime dt;
string libName, txt;
try
{
DbCommandMx dao = new DbCommandMx();
string sql = // get count and date (must use crt_timestamp) for each library
@"
select
l.lib_id,
count(*),
l.crt_timestamp
from
corp_owner.corp_library l,
corp_owner.corp_library_substance ls
where ls.lib_id (+) = l.lib_id
group by l.lib_id, l.crt_timestamp
order by l.lib_id" ;
dao.Prepare(sql);
dao.ExecuteReader();
while (dao.Read())
{
libId = dao.GetInt(0);
libName = "LIBRARY_" + libId;
if (!stats.ContainsKey(libName))
{
stats[libName] = new MetaTableStats();
}
cnt = dao.GetLong(1);
stats[libName].RowCount = cnt;
dt = dao.GetDateTime(2);
stats[libName].UpdateDateTime = dt;
}
dao.CloseReader();
dao.Dispose();
string fileName = MetaTableFactory.MetaTableXmlFolder + @"\LibraryStats";
MetaTableFactory.WriteMetaTableStats(stats, fileName);
}
catch (Exception ex)
{
throw ex;
}
return("Updated statistics for " + stats.Count + " libraries");
}
/// <summary>
/// Get a list of CorpIds that have been added or modified since the checkpoint date
/// </summary>
/// <returns></returns>
static List <string> GetNewAndModifiedCorpIdList(
out Dictionary <string, DateTime> cidUpdateDateDict)
{
int readCnt = 0;
List <string> cidList = new List <string>();
cidUpdateDateDict = new Dictionary <string, DateTime>();
CheckpointDateTime = FpDao.ReadFingerPrintSimMxDataUpdateCheckpointDate(); // , "20-mar-2016 000000");
if (Lex.IsUndefined(CheckpointDateTime))
{
throw new Exception("Mobius UpdateSimMxCorpIdDataCheckpointDate is not defined");
}
//CheckpointDateTime = "20-mar-2016 000000"; // debug
string sql = Lex.Replace(SelectCorpIdsByDateRange, "1-jan-1900 000000", CheckpointDateTime);
DbCommandMx rdr = DbCommandMx.PrepareAndExecuteReader(sql);
while (rdr.Read())
{
readCnt++;
int corpId = rdr.GetInt(0); // corp_nbr
string cid = corpId.ToString();
cid = CompoundId.NormalizeForDatabase(cid);
cidList.Add(cid);
DateTime dt = rdr.GetDateTime(1);
cidUpdateDateDict[cid] = dt;
}
rdr.CloseReader();
return(cidList);
}
/// <summary>
/// Calculate & persist metatable stats for tables belonging to broker
/// </summary>
/// <returns></returns>
public int UpdateMetaTableStatistics()
{
MetaTableStats mts;
DateTime dt;
string sql;
int mthdId;
long rowCount;
Dictionary <int, MetaTableStats> stats = new Dictionary <int, MetaTableStats>();
DbCommandMx dao = new DbCommandMx();
// Get row count for each table
sql =
"select " +
" mthd_vrsn_id, count(*) " +
"from ( " +
" select " +
" mthd_vrsn_id, rslt_grp_id" +
" from mbs_owner.mbs_adw_rslt " +
" where " +
" sts_id = 1 " +
// " and mthd_vrsn_id = 148411 " + // debug
" group by mthd_vrsn_id, rslt_grp_id) " +
"group by mthd_vrsn_id";
dao.Prepare(sql);
dao.ExecuteReader();
while (dao.Read())
{
mthdId = dao.GetInt(0);
rowCount = dao.GetLong(1);
if (!stats.ContainsKey(mthdId))
{
stats[mthdId] = new MetaTableStats();
}
stats[mthdId].RowCount = rowCount;
}
dao.CloseReader();
// Get latest update date for each table
sql =
"select " +
" mthd_vrsn_id, max(updt_dt) " +
"from mbs_owner.mbs_adw_rslt " +
"where " +
" updt_dt <= sysdate and " +
" sts_id = 1" +
// " and mthd_vrsn_id = 148411 " + // debug
"group by mthd_vrsn_id";
dao.Prepare(sql);
dao.ExecuteReader();
while (dao.Read())
{
mthdId = dao.GetInt(0);
dt = dao.GetDateTime(1);
if (!stats.ContainsKey(mthdId))
{
stats[mthdId] = new MetaTableStats();
}
stats[mthdId].UpdateDateTime = dt;
}
dao.CloseReader();
dao.Dispose();
int updCnt = 0;
foreach (int mthdId_ in stats.Keys)
{
mts = stats[mthdId_];
try { UserObjectDao.UpdateUpdateDateAndCount(mthdId_, mts.UpdateDateTime, (int)mts.RowCount); }
catch (Exception ex) { continue; }
updCnt++;
}
return(stats.Count);
}
/// <summary>
/// Read in data, pivot & buffer for supplied set of rows.
/// This is called for retrieval only, not for search
/// </summary>
/// <param name="eqp"></param>
public override void ExecuteQuery(
ExecuteQueryParms eqp)
{
DbCommandMx drd;
int rowsFetched = 0, vosCreated = 0;
MetaTable mt;
MetaColumn mc = null;
DateTime dt;
PivotMetaBroker mb;
List <GenericMetaBroker> mbList;
string cid, pivotKey, tableFilter, s, txt, tok;
int fci, mci, pvi, pci, si, i1;
object[] vo = null;
object o;
if (!PivotInCode) // let Oracle do the pivoting?
{
base.ExecuteQuery(eqp);
return;
}
// Self-pivot. Read & buffer data for all query tables from same Source/TableFilterColumns for key set if we are the first table for Source
int t0 = TimeOfDay.Milliseconds();
Dictionary <string, MultiTablePivotBrokerTypeData> mbsi = eqp.Qe.MetaBrokerStateInfo;
mt = eqp.QueryTable.MetaTable;
string sourceKey = mt.TableMap + "," + Csv.JoinCsvString(mt.TableFilterColumns); // grouping based on source sql
MultiTablePivotBrokerTypeData mpd = (MultiTablePivotBrokerTypeData)mbsi[sourceKey];
if (mpd.FirstTableName != mt.Name)
{
return; // retrieve data for all tables when we see first table
}
mpd.ClearBuffers();
// Build sql
StringBuilder sb = new StringBuilder(); // build filter to select for desired metatable
tableFilter = "";
if (mt.TableFilterColumns.Count == 1)
{ // build single in list if single filter column
foreach (string mtName in mpd.MbInstances.Keys)
{
mt = MetaTableCollection.Get(mtName);
if (sb.Length > 0)
{
sb.Append(",");
}
sb.Append(mt.TableFilterValues[0]);
tableFilter = mt.TableFilterColumns[0] + " in (" + sb.ToString() + ")";
}
}
else // multiple table filter columns, build and/or expressions
{
foreach (string mtName in mpd.MbInstances.Keys)
{
mt = MetaTableCollection.Get(mtName);
if (sb.Length > 0)
{
sb.Append(" or ");
}
tableFilter = "(" + GetTableFilterCriteria(mt) + ")";
sb.Append(tableFilter);
}
tableFilter = "(" + sb.ToString() + ")";
}
string sql = "select * from " + mt.TableMap + " where ";
if (tableFilter != "")
{
sql += tableFilter + " and ";
}
sql += mt.KeyMetaColumn.ColumnMap + " in (<list>) ";
// Read unpivoted data, merge/pivot & buffer pivoted rows
List <string> keySubset = eqp.SearchKeySubset;
if (keySubset == null)
{
keySubset = GetPreviewSubset(); // assume previewing of single table if no subset
}
List <string> parmList = new List <string>();
for (i1 = 0; i1 < keySubset.Count; i1++) // copy keys to parameter array properly normalized
{
string key = CompoundId.NormalizeForDatabase((string)keySubset[i1], Qt.MetaTable);
if (key != null)
{
parmList.Add(key);
}
}
drd = new DbCommandMx();
drd.PrepareListReader(sql, DbType.String);
drd.ExecuteListReader(parmList);
while (drd.Read())
{
rowsFetched++;
string tableFilterKey = ""; // get column values to identify table
for (fci = 0; fci < mt.TableFilterColumns.Count; fci++)
{
o = drd.GetObjectByName(mt.TableFilterColumns[fci]);
if (o == null)
{
s = "";
}
else
{
s = o.ToString();
}
if (tableFilterKey != "")
{
tableFilterKey += ", ";
}
tableFilterKey += s;
}
mt = mpd.TableFilterValuesToMetaTableDict[tableFilterKey];
if (mt == null)
{
continue; // continue if don't know about this table
}
if (!mpd.MbInstances.ContainsKey(mt.Name))
{
continue; // have row hash for broker?
}
int mbIdx = 0;
mb = (PivotMetaBroker)mpd.GetFirstBroker(mt.Name, out mbList);
while (true) // copy out for each metabroker
{
mt = mb.Qt.MetaTable;
if (mt == null)
{
continue;
}
if (mb.MultipivotRowDict == null)
{
mb.MultipivotRowDict = new Dictionary <string, object[]>();
}
string rowKey = "";
for (mci = 0; mci < mt.PivotMergeColumns.Count; mci++)
{
o = drd.GetObjectByName(mt.PivotMergeColumns[mci]);
if (o == null)
{
s = "<null>";
}
else
{
s = o.ToString();
}
rowKey += "<" + s + ">";
}
if (mb.MultipivotRowDict.ContainsKey(rowKey)) // have entry for row?
{
vo = (object[])mb.MultipivotRowDict[rowKey];
}
else // new row, create vo for it & fill in merged column values
{
vo = new Object[mb.SelectList.Count];
for (si = 0; si < mb.SelectList.Count; si++) // transfer non-pivoted values
{
mc = mb.SelectList[si];
if (mc.PivotValues != null)
{
continue; // skip pivoted cols for now
}
for (mci = 0; mci < mt.PivotMergeColumns.Count; mci++)
{
if (Lex.Eq(mc.ColumnMap, mt.PivotMergeColumns[mci]))
{
o = drd.GetObjectByName(mt.PivotMergeColumns[mci]);
if (mc.IsKey) // normalize cid adding prefix as needed
{
o = CompoundId.Normalize(o.ToString(), mt);
}
vo[si] = o;
break;
}
}
}
mb.MultipivotRowDict[rowKey] = vo;
vosCreated++;
}
// Pivot out data based on pivot column values
if (mb.PivotKeys == null)
{ // build set of pivot keys for the pivoted columns in the table if not done yet
mb.PivotKeys = new string[mb.SelectList.Count];
for (si = 0; si < mb.SelectList.Count; si++)
{
mc = mb.SelectList[si];
if (mc.PivotValues == null)
{
continue; // skip non-pivoted cols
}
pivotKey = "";
for (pvi = 0; pvi < mc.PivotValues.Count; pvi++)
{
pivotKey += "<" + mc.PivotValues[pvi].ToLower() + ">";
}
mb.PivotKeys[si] = pivotKey;
}
}
pivotKey = "";
for (pci = 0; pci < mt.PivotColumns.Count; pci++)
{ // build pivot key for this unpivoted row
o = drd.GetObjectByName(mt.PivotColumns[pci]);
if (o == null)
{
s = "<null>";
}
else
{
s = o.ToString().ToLower();
}
pivotKey += "<" + s + ">";
}
for (si = 0; si < mb.SelectList.Count; si++) // transfer pivoted values
{
if (mb.PivotKeys[si] == null || // skip non-pivoted cols
pivotKey != mb.PivotKeys[si])
{
continue; // and non-matches
}
mc = mb.SelectList[si];
int ci = drd.Rdr.GetOrdinal(mc.ColumnMap);
if (mc.DataType == MetaColumnType.Integer)
{
if (!mc.DetailsAvailable) // simple scalar value
{
vo[si] = drd.GetInt(ci);
}
else // value with possible resultId, linking information
{
txt = drd.GetString(ci); // todo: fix for annotation
vo[si] = QueryEngine.ParseScalarValue(txt, Qt, mc);
}
}
else if (mc.DataType == MetaColumnType.Number)
{
if (!mc.DetailsAvailable) // simple scalar value
{
vo[si] = drd.GetDouble(ci);
}
else // value with possible resultId, linking information
{
txt = Dr.GetString(ci); // todo: fix for annotation
vo[si] = QueryEngine.ParseScalarValue(txt, Qt, mc);
}
}
else if (mc.DataType == MetaColumnType.QualifiedNo)
{
// todo
}
else if (mc.DataType == MetaColumnType.String)
{
if (!mc.DetailsAvailable)
{
vo[si] = drd.GetString(ci);
}
else // value with possible resultId, linking information
{
txt = Dr.GetString(ci); // todo: fix for annotation
vo[si] = QueryEngine.ParseScalarValue(txt, Qt, mc);
}
}
else if (mc.DataType == MetaColumnType.Date)
{
if (!mc.DetailsAvailable) // simple scalar value
{
vo[si] = drd.GetDateTime(ci);
}
else // value with possible resultId, linking information
{
txt = Dr.GetString(ci); // todo: fix for annotation
vo[si] = QueryEngine.ParseScalarValue(txt, Qt, mc);
}
}
else if (mc.DataType == MetaColumnType.Structure)
{ // structures come in as compound identifiers (todo: fix for annotation)
tok = Dr.GetValue(si).ToString();
cid = CompoundId.Normalize(tok, Qt.MetaTable);
vo[si] = cid;
}
else if (mc.DataType == MetaColumnType.MolFormula)
{
vo[si] = drd.GetString(ci);
}
else if (mc.DataType == MetaColumnType.DictionaryId)
{
try // Id may be string or integer value
{ vo[si] = drd.GetString(ci); }
catch (Exception ex)
{ vo[si] = drd.GetInt(ci); }
}
else if (mc.DataType == MetaColumnType.Image)
{
try // Id may be string or integer value
{ vo[si] = drd.GetString(ci); }
catch (Exception ex)
{ vo[si] = drd.GetInt(ci); }
}
else if (mc.DataType == MetaColumnType.Hyperlink)
{
txt = drd.GetString(ci);
Hyperlink hlink = new Hyperlink();
vo[si] = hlink;
hlink.Text = txt;
}
}
if (mbList == null)
{
break; // single broker
}
mbIdx++; // go to next broker
if (mbIdx >= mbList.Count)
{
break; // at end of brokers?
}
mb = (PivotMetaBroker)mbList[mbIdx];
} // end of broker loop
} // end of read loop
drd.Dispose();
return;
}
/// <summary>
/// Sync the Mobius CorpMoltable replicate used to retrieve Smiles
/// Syntax: UpdateCorpDbMoltableMx [ ByDateRange | ByCorpIdRange | LoadMissing | <singleCorpId>]
/// </summary>
/// <returns></returns>
public static string UpdateCorpDbMoltableMx(
string args)
{
DateTime moleculeDateTime = DateTime.MinValue;
double mw;
string msg = "", sql = "", maxCorpIdSql, mf = "", chime = "", smiles = "", checkPointDate = "", helm = "", sequence = "", svg = "";
object[][] pva = null;
int pvaCount = 0, CorpId, lowCorpId = 0, highCorpId = 0, srcMaxCorpId = 0;
int SelectChunkSize = 20; // small chunks
int InsertBufferSize = 10;
//int SelectChunkSize = 100000; // big chunks
//int InsertBufferSize = 1000;
// Select data from corp_moltable by CorpId range
const string SelectByCorpIdRange = @"
SELECT
m.corp_nbr,
chime(m.ctab),
m.molformula,
m.molweight,
null molsmiles,
s.helm_txt,
s.sequence_txt,
m.molecule_date
FROM
corp_owner.corp_moltable m,
corp_owner.corp_substance s
where
m.corp_nbr > 0
and s.corp_nbr = m.corp_nbr
and (s.status_code is null or s.status_code = 'A')
ORDER BY corp_nbr";
// Select data from corp_moltable by date range comparing to corp_moltable_mx
const string SelectByDateRange = @"
select
m.corp_nbr,
chime(m.ctab),
m.molformula,
m.molweight,
null molsmiles,
s.helm_txt,
s.sequence_txt,
m.molecule_date,
m2.molecule_date
from
corp_owner.corp_moltable m,
corp_owner.corp_substance s,
corp_moltable_mx m2
where
m.molecule_date > to_date('1-jan-1900 000000','DD-MON-YYYY HH24MISS')
and s.corp_nbr = M.CORP_NBR
and (s.status_code is null or s.status_code = 'A')
and m2.corp_nbr (+) = m.corp_nbr
and m2.molecule_date (+) != m.molecule_date
order by m.molecule_date" ;
// Select for missing smiles strings, ex: Update CorpDbMoltableMx LoadMissing mx.molecule_date > '1-jan-2014'
const string SelectMissingSmilesFix = @"
select /* check for CorpIds in corp_moltable not in corp_moltable_mx */
corp_nbr,
chime(ctab),
molformula,
molweight,
null molsmiles,
helm_txt,
sequence_txt,
molecule_date
from
(
select
m.*,
s.helm_txt,
s.sequence_txt,
mx.molsmiles molsmiles_mx
from
corp_owner.corp_moltable m,
corp_owner.corp_substance s,
corp_moltable_mx mx
where
s.corp_nbr = M.CORP_NBR
and (s.status_code is null or s.status_code = 'A')
and mx.corp_nbr (+) = m.corp_nbr
and 1=1 /* condition to substitute */
) m
where molsmiles_mx is null /* extra condition */
order by corp_nbr" ;
// Insert missing helm info
const string SelectMissingHelmFix = @"
select /* check for CorpIds in corp_moltable not in corp_moltable_mx */
corp_nbr,
chime(ctab),
molformula,
molweight,
null molsmiles,
helm_txt,
sequence_txt,
molecule_date
from
(
select
m.*,
s.helm_txt,
s.sequence_txt,
mx.molsmiles molsmiles_mx
from
corp_owner.corp_moltable m,
corp_owner.corp_substance s,
corp_moltable_mx mx
where
s.corp_nbr = M.CORP_NBR
and (s.status_code is null or s.status_code = 'A')
and mx.corp_nbr (+) = m.corp_nbr
and 1=1 /* condition to substitute */
) m
where length(helm_txt) > 0 /* extra condition */
order by corp_nbr" ;
// Secondary "large" structure table (~5k mols)
const string SelectLargeMols = @"
select
corp_nbr,
to_clob(molstructure),
to_clob(molformula),
molweight,
molsmiles,
null helm_txt,
null sequence_txt,
molecule_date
from
(select
corp_srl_nbr corp_nbr,
'CompoundId=' || corp_srl_nbr molstructure,
null ctab,
mlclr_frml_txt molformula,
mlclr_wgt molweight,
null molsmiles,
null molecule_date
from rdm_owner.rdm_sbstnc
where rdw_src_cd = 'LRG'" ;
// Insert statement
const string InsertSql = @"
insert into mbs_owner.corp_moltable_mx (
corp_nbr,
molstructure,
molformula,
molweight,
molsmiles,
molecule_date)
values (:0, :1, :2, :3, :4, :5)" ;
// Build select sql
bool byDateRange = false, byCorpIdRange = false, missingFix = true, deleteExisting = true;
string missingFixCriteria = "";
if (Lex.IsUndefined(args) || Lex.Eq(args, "ByDateRange"))
{
byDateRange = true;
}
else if (Lex.Eq(args, "ByCorpIdRange"))
{
byCorpIdRange = true;
Progress.Show("Getting range of CorpIds to insert...");
maxCorpIdSql = "select max(corp_nbr) from corp_owner.corp_moltable"; // get highest CorpId in source db
srcMaxCorpId = SelectSingleValueDao.SelectInt(maxCorpIdSql);
if (srcMaxCorpId < 0)
{
srcMaxCorpId = 0;
}
maxCorpIdSql = "select max(corp_nbr) from mbs_owner.corp_moltable_mx"; // get highest CorpId in dest db
highCorpId = SelectSingleValueDao.SelectInt(maxCorpIdSql);
if (highCorpId < 0)
{
highCorpId = 0;
}
}
else if (Lex.StartsWith(args, "LoadMissing"))
{
missingFix = true;
if (args.Contains(" "))
{
missingFixCriteria = args.Substring(10).Trim();
}
}
else if (int.TryParse(args, out srcMaxCorpId)) // single CorpId
{
byCorpIdRange = true;
highCorpId = srcMaxCorpId - 1; // say 1 less is the max we have
}
else
{
return("Syntax: UpdateCorpDbMoltableMx [ ByDateRange | ByCorpIdRange | LoadMissing | <singleCorpId>]");
}
Log("UpdateCorpDbMoltableMx started: " + args);
int readCount = 0, insCount = 0, insertCount = 0, updateCount = 0, undefinedStructures = 0, smilesSuccess = 0, smilesFails = 0, helmStructures = 0;
List <string> CorpIdList = new List <string>();
for (int chunk = 1; ; chunk++) // loop over chunks
{
if (byDateRange) // single chunk
{
if (chunk > 1)
{
break; // break 2nd time through
}
checkPointDate = UserObjectDao.GetUserParameter("MOBIUS", "UpdateCorpDbMoltableMxCheckpointDate", "01-sep-2013 000000");
//UserObjectDao.SetUserParameter("MOBIUS", "UpdateCorpDbMoltableMxCheckpointDate", checkPointDate);
sql = Lex.Replace(SelectByDateRange, "1-jan-1900 000000", checkPointDate);
msg = "Reading where date >= " + checkPointDate;
}
else if (byCorpIdRange) // by CorpId range
{
if (highCorpId >= srcMaxCorpId)
{
break; // done
}
lowCorpId = highCorpId + 1; // start of next chunk
highCorpId = lowCorpId + SelectChunkSize;
if (highCorpId >= srcMaxCorpId)
{
highCorpId = srcMaxCorpId;
}
sql = Lex.Replace(SelectByCorpIdRange, "corp_nbr > 0", "corp_nbr between " + lowCorpId + " and " + highCorpId);
msg = "Reading: " + lowCorpId + " to " + highCorpId + ", Reads: " + readCount + ", Inserts: " + insertCount;
}
else if (missingFix)
{
if (chunk > 1)
{
break; // break 2nd time through
}
sql = SelectMissingHelmFix;
if (Lex.IsDefined(missingFixCriteria)) // substitute any criteria
{
sql = Lex.Replace(sql, "1=1", missingFixCriteria);
}
msg = "Fixing missing data";
}
Progress.Show(msg);
DbCommandMx readCmd = new DbCommandMx();
readCmd.MxConn = DbConnectionMx.GetConnection("prd123");
readCmd.PrepareUsingDefinedConnection(sql, null);
DbDataReader rdr = readCmd.ExecuteReader();
DbCommandMx insertCmd = new DbCommandMx();
OracleDbType[] pta = new OracleDbType[6];
pta[0] = OracleDbType.Int32; // corp_nbr
pta[1] = OracleDbType.Clob; // molstructure
pta[2] = OracleDbType.Clob; // molformula
pta[3] = OracleDbType.Double; // molweight
pta[4] = OracleDbType.Clob; // smiles
pta[5] = OracleDbType.Date; // molecule_date
insertCmd.Prepare(InsertSql, pta);
insertCmd.BeginTransaction(); // be sure we have a transaction going
pva = DbCommandMx.NewObjectArrayArray(6, InsertBufferSize); // alloc insert row array
object[] vo = new object[6];
while (true)
{
bool readOk = rdr.Read();
if (readOk)
{
rdr.GetValues(vo);
CorpId = readCmd.GetInt(0); // corp_nbr
vo[0] = CorpId;
CorpIdList.Add(CorpId.ToString());
if (!readCmd.IsNull(1)) // molstructure
{
chime = readCmd.GetClob(1);
chime = OracleMx.ClearStringIfExceedsMaxStringSize(chime);
vo[1] = chime;
}
else
{
chime = "";
}
if (!readCmd.IsNull(2)) // molformula
{
mf = readCmd.GetClob(2);
mf = OracleMx.ClearStringIfExceedsMaxStringSize(mf);
vo[2] = mf;
}
if (!readCmd.IsNull(3)) // molweight
{
mw = readCmd.GetDouble(3);
vo[3] = mw;
}
if (Lex.IsDefined(chime)) // molsmiles - calculate from chime string
{
MoleculeMx cs = new MoleculeMx(MoleculeFormat.Chime, chime);
if (cs.AtomCount > 1) // need more than one atom
{
MoleculeMx cs2 = cs.ConvertTo(MoleculeFormat.Smiles);
smiles = cs2.GetSmilesString();
if (Lex.IsDefined(smiles))
{
smilesSuccess++;
}
else
{
Log("Smiles conversion failure for CorpId: " + CorpId);
smilesFails++;
}
smiles = OracleMx.ClearStringIfExceedsMaxStringSize(smiles);
vo[4] = smiles;
}
else
{
undefinedStructures++;
}
}
else
{
undefinedStructures++;
}
if (!readCmd.IsNull(5))
{
helm = readCmd.GetClob(5);
if (Lex.IsDefined(helm))
{
svg = HelmControl.GetSvg(helm);
vo[1] = SvgUtil.CompressSvgString(svg); // store compressed svg in molstructure column for now
helmStructures++;
}
}
if (!readCmd.IsNull(6))
{
sequence = readCmd.GetClob(6);
if (Lex.IsDefined(sequence))
{
// nothing yet
}
}
moleculeDateTime = DateTime.MinValue;
if (!readCmd.IsNull(7)) // molecule_date
{
moleculeDateTime = readCmd.GetDateTime(7);
vo[5] = moleculeDateTime;
}
for (int pi = 0; pi < 6; pi++) // invert for insert
{
pva[pi][pvaCount] = vo[pi];
}
if (Debug)
{
msg = String.Format("CorpId: {0}, mf: {1}, chime: {2}, smiles: {3}", CorpId.ToString(), mf.Length, chime.Length, smiles.Length);
Log(msg);
}
pvaCount++;
}
if (pvaCount >= InsertBufferSize || (!readOk && pvaCount > 0)) // write if buffer full or at end
{
try
{
if (deleteExisting)
{
int delCount = DoDeletes(CorpIdList);
updateCount += delCount; // count deletes as updates
insertCount -= delCount; // subtract from inserts
}
CorpIdList.Clear();
insCount = insertCmd.ExecuteArrayNonReader(pva, ref pvaCount);
insertCmd.Commit();
insertCmd.BeginTransaction();
insertCount += insCount;
}
catch (Exception ex)
{
throw new Exception(ex.Message, ex);
}
if (byDateRange)
{
string checkPointDate2 = String.Format("{0:dd-MMM-yyyy HHmmss}", moleculeDateTime); // format date time that will work with oracle
UserObjectDao.SetUserParameter("MOBIUS", "UpdateCorpDbMoltableMxCheckpointDate", checkPointDate2);
msg = "Processing where date >= " + checkPointDate + ", Reads: " + readCount + ", Inserts: " + insertCount + ", Updates: " + updateCount;
}
else if (byCorpIdRange) // CorpId range
{
msg = "Processing: " + lowCorpId + " to " + highCorpId + ", Reads: " + readCount + ", Inserts: " + insertCount;
}
else if (missingFix)
{
msg = "Fixing missing smiles, Updates: " + updateCount;
}
msg += String.Format(", Undefined structures: {0} , Smiles failures: {1}, Helms: {2}", undefinedStructures, smilesFails, helmStructures);
Progress.Show(msg);
}
if (!readOk)
{
break;
}
readCount++;
}
readCmd.Dispose();
insertCmd.Dispose();
} // end for select chunk
msg = "UpdateCorpDbMoltableMx - Inserts: " + insertCount + ", Updates: " + updateCount;
msg += String.Format(", Undefined structures: {0} , Smiles failures: {1}, Helms: {2}", undefinedStructures, smilesFails, helmStructures);
Log(msg);
return(msg);
}