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maxHitCount in cartridge structure search
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Reply to topic    Home -> Forums -> Support -> Storage & search: JChem Base /Cartridge -> maxHitCount in cartridge structure search

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yzhou
Joined: 30 Sep 2004
Posts: 132


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Post subject: maxHitCount in cartridge structure search
Link to postPosted: Fri May 23, 2008 4:18 am  Reply with quote
When the number of matches exceed maxHitCount, jc_compare may return more records than maxHitCount. In the following SQL, we sometimes got 5001, or 5002, or 5003. This is not a big deal, however, it would be nice if jc_compare returns no more than 5000, if we set maxHitCount to 5000. I guess this is fairly straightfoward to patch?

SELECT count(distinct CPD_SID) FROM LDDB_WAREHOUSE.STRUCTURE WHERE jc_compare(jc_smiles,
'
Marvin 05220814552D

13 14 0 0 0 0 999 V2000
lWyVBrzV60
NG+Ver+V60
NG+VYs0W60
lWyV-s1W60
6nwVYs0W60
6nwVer+V70
000W-s1W80
fl1WYs0W60
fl1Wer+V60
HV3WBrzV60
wE5Wer+V60
wE5WYs0W60
HV3W-s1W60
10201
20301
30401
40501
50601
10601
30701
70801
80904
90A04
A0B04
B0C04
C0D04
80D04
M END
'
,'t:s stereoSearch:n maxHitCount:5000')=1;
Szilard
Joined: 21 May 2004
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Post subject:
Link to postPosted: Fri May 23, 2008 10:40 am  Reply with quote
Hi,

Could let us know your JChem version please ?

Best regards,

Szilard
yzhou
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Link to postPosted: Fri May 23, 2008 10:50 pm  Reply with quote
5.0.3, the latest version.
pkovacs
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Link to postPosted: Sun May 25, 2008 10:28 pm  Reply with quote
This problem will be fixed in the next JChem release (5.0.5) scheduled for June 18 (Wednesday) .
pkovacs
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Link to postPosted: Mon May 26, 2008 6:22 pm  Reply with quote
Sorry, I was too quick to promise a fix for this problem. Szilard will let you know when a fix will be available.
Szilard
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Link to postPosted: Tue May 27, 2008 11:06 am  Reply with quote
Hi,

The fix will be present next JChem release (5.0.5), as previously stated.

Best regards,

Szilard
pkovacs
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Link to postPosted: Tue Jul 01, 2008 10:13 pm  Reply with quote
JChem 5.0.6 including the fix has been released.
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