QSAR patch... and single patch branches, versus multi patch branches
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QSAR patch... and single patch branches, versus multi patch branches
by Egon Willighagen-5
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Hi Rajarshi,
I will check the patch in your branch this weekend. I do have a first comment, regarding the branching, it makes reviewing the patch more difficult if is it confounded with other patches. Right now, it seems you have not just the QSAR refactoring in there, but also the new descriptor. I'd rather see these in separate branches... You could have branched the kierandhall branch from the latest descnames branch, to allow you to write the new descriptor using the new API. Branching is cheap, server-wise, and makes the patches easier to read. Does that make sense? Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: QSAR patch... and single patch branches, versus multi patch branches
by Rajarshi Guha-3
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-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1 On Jul 19, 2008, at 3:40 AM, Egon Willighagen wrote: > Hi Rajarshi, > > I will check the patch in your branch this weekend. > > I do have a first comment, regarding the branching, it makes reviewing > the patch more difficult if is it confounded with other patches. Right > now, it seems you have not just the QSAR refactoring in there, but > also the new descriptor. I'd rather see these in separate branches... > You could have branched the kierandhall branch from the latest > descnames branch, to allow you to write the new descriptor using the > new API. Branching is cheap, server-wise, and makes the patches easier > to read. Yes, I realized that after adding the descriptor code to the repo :( - ------------------------------------------------------------------- Rajarshi Guha <rguha@...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- After an instrument has been assembled, extra components will be found on the bench. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkiB+iwACgkQZqGSLFHnnoR6LQCgobJckg9tpL2WHZ2ww3tdLCkC t34AoJZ9QWl+Y6MvdZy/gzFPZQryEw3D =8vwV -----END PGP SIGNATURE----- ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: QSAR patch... and single patch branches, versus multi patch branches
by Rajarshi Guha-3
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Hash: SHA1 On Jul 19, 2008, at 3:40 AM, Egon Willighagen wrote: > Hi Rajarshi, > > I will check the patch in your branch this weekend. One problem I can't seem to work out is the fact that the K&H SMARTS decsriptor requires SMARTS matching, so I included the cdk-smarts module in qsarmolecular.cdkdepends. However ant dist-all fails on the qsarmolecular module, saying it can't find SMARTSQueryTool. What could be the problem? - ------------------------------------------------------------------- Rajarshi Guha <rguha@...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- Heisenberg may have been here. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkiCAB8ACgkQZqGSLFHnnoTifwCg06/ty8hkJZjOUzXmlR7Au5+n xS0AoILb/zJU52uZAja9uJR6v7B7iybb =U8Z8 -----END PGP SIGNATURE----- ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: QSAR patch... and single patch branches, versus multi patch branches
by Rajarshi Guha-3
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-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1 On Jul 19, 2008, at 10:54 AM, Rajarshi Guha wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > On Jul 19, 2008, at 3:40 AM, Egon Willighagen wrote: >> Hi Rajarshi, >> >> I will check the patch in your branch this weekend. > > One problem I can't seem to work out is the fact that the K&H SMARTS > decsriptor requires SMARTS matching, so I included the cdk-smarts > module in qsarmolecular.cdkdepends. > > However ant dist-all fails on the qsarmolecular module, saying it > can't find SMARTSQueryTool. As usual, the fix is obvious after sending the mail! Basically, the order of compile-module calls in the dist-all target controls whether the required modules are available as dependencies. Ensuring that cdk-smarts is compiled before cdk-qsarmolecule gives a clean build. Isn't there a way for ant to read the contents of *.cdkdepends and decide what needs to be compiled before the current module? - ------------------------------------------------------------------- Rajarshi Guha <rguha@...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- Q: What do you get when you cross a mosquito with a mountain climber? A: Nothing. You can't cross a vector with a scaler. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkiCATcACgkQZqGSLFHnnoTL0QCcCfY/ijdMa4MfN73sVBtBPOyc cK4AoOWahLi3uikfcbZC2WXcv6p3IJua =w3EP -----END PGP SIGNATURE----- ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: QSAR patch... and single patch branches, versus multi patch branches
by Egon Willighagen-5
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On Sat, Jul 19, 2008 at 4:54 PM, Rajarshi Guha <rguha@...> wrote:
> One problem I can't seem to work out is the fact that the K&H SMARTS > decsriptor requires SMARTS matching, so I included the cdk-smarts module in > qsarmolecular.cdkdepends. > > However ant dist-all fails on the qsarmolecular module, saying it can't find > SMARTSQueryTool. > > What could be the problem? Try 'grep SMARTSQueryTool build/*.javafiles' to see what jar it shoud end up in, and 'jar tvf' to verify that it did... An other problem might be the build order. Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: QSAR patch... and single patch branches, versus multi patch branches
by Egon Willighagen-5
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On Sat, Jul 19, 2008 at 4:59 PM, Rajarshi Guha <rguha@...> wrote:
> As usual, the fix is obvious after sending the mail! > > Basically, the order of compile-module calls in the dist-all target controls > whether the required modules are available as dependencies. Ensuring that > cdk-smarts is compiled before cdk-qsarmolecule gives a clean build. Ah, good :) > Isn't there a way for ant to read the contents of *.cdkdepends and decide > what needs to be compiled before the current module? Yes, that would be possible, but require a custom Ant task to be written... I never explored that. Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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