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Re: [ESPResSo-devel] one minor bug in polymer_tcl.c

From: Axel Arnold
Subject: Re: [ESPResSo-devel] one minor bug in polymer_tcl.c
Date: Fri, 26 Oct 2012 15:12:13 +0200
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:16.0) Gecko/20121010 Thunderbird/16.0.1

On 10/25/2012 12:49 PM, 정환원 wrote:
Hello, ESPResSo developers.

When I simulated samples/pe_network.tcl, the equlibrium and crossnetwork integration step failed to run.
So, I think that src/polymer_tcl.c have a bug like follows:

649 else if (ARG_IS_S(i, "bond") || ARG_IS_S(i, "FENE")) {
650 if(i+1 < argc) {
651 if (ARG_IS_I(i+1, type_bond)) {
652 Tcl_AppendResult(interp, "The type-# of the bind-interaction must be integer (got: ",
653 argv[i+1],")!", (char *)NULL);
654 return (TCL_ERROR);
655 } else { i++; }

In line 651, if (ARG_IS_I(i+1, type_bond)) should be changed to
if (!ARG_IS_I(i+1, type_bond)) by adding negate operator (!) before ARG_IS.

Thanks for reporting, I fixed it in the repo.

After that, pe_network.tcl script succed to finish all integration.
Please, I hope this will be considered by you.

That is actually also good to know, since, as you have noticed, we are so far unfortunately not checking often enough whether our example scripts still work. So if you tried other scripts and they worked or you find some more glitches, please report to this list.

Thanks a lot!

JP Dr. Axel Arnold
ICP, Universität Stuttgart
Pfaffenwaldring 27
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609

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