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

From: 정환원
Subject: [ESPResSo-devel] one minor bug in polymer_tcl.c
Date: Thu, 25 Oct 2012 19:49:39 +0900 (KST)

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.

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

Have a good day !!

Hwan Won, Chung
Korea Institute of Science and Technology.

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