From 42b63f2fc516a4ce386c83a514748369ef190195 Mon Sep 17 00:00:00 2001 From: Tobias Schmidt <tobias.schmidt@unibas.ch> Date: Fri, 29 Jul 2011 17:56:16 +0200 Subject: [PATCH] ICS was not updated properly after connecting atoms --- modules/mol/base/src/editor_base.cc | 1 + modules/mol/base/tests/test_ics.cc | 7 +++++++ 2 files changed, 8 insertions(+) diff --git a/modules/mol/base/src/editor_base.cc b/modules/mol/base/src/editor_base.cc index d9f460994..588c7cf99 100644 --- a/modules/mol/base/src/editor_base.cc +++ b/modules/mol/base/src/editor_base.cc @@ -217,6 +217,7 @@ void EditorBase::UpdateTrace() { if (mode_==UNBUFFERED_EDIT) { ent_.Impl()->TraceDirectionality(); + ent_.Impl()->UpdateICSIfNeeded(); } } diff --git a/modules/mol/base/tests/test_ics.cc b/modules/mol/base/tests/test_ics.cc index f7ffd3722..0b19877c8 100644 --- a/modules/mol/base/tests/test_ics.cc +++ b/modules/mol/base/tests/test_ics.cc @@ -103,6 +103,13 @@ bool test_angle(Real a, Real e) { BOOST_AUTO_TEST_SUITE( mol_base ) +BOOST_AUTO_TEST_CASE(ics_update_icsbondlength) +{ + TorsionStructure s; + mol::BondHandle bond = s.a2.FindBondToAtom(s.a3); + BOOST_CHECK_CLOSE(bond.GetLength(), 1.0, EPSILON); +} + BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered) { Real eps = 0.0001; -- GitLab