From 4a8f2b26a2542f36488ed47803e64387d45beb07 Mon Sep 17 00:00:00 2001
From: Marco Biasini <marco.biasini@unibas.ch>
Date: Tue, 8 Mar 2011 11:32:55 +0100
Subject: [PATCH] fix for BZDNG-219 (bracketed-within query ignores not)
---
modules/mol/base/src/impl/query_impl.cc | 6 ++++--
modules/mol/base/src/query_state.cc | 2 +-
modules/mol/base/tests/test_query.cc | 9 ++++++---
3 files changed, 11 insertions(+), 6 deletions(-)
diff --git a/modules/mol/base/src/impl/query_impl.cc b/modules/mol/base/src/impl/query_impl.cc
index d2297c5cd..314c05ae9 100644
--- a/modules/mol/base/src/impl/query_impl.cc
+++ b/modules/mol/base/src/impl/query_impl.cc
@@ -1042,7 +1042,7 @@ Node* QueryImpl::ParseWithinExpr(QueryLexer& lexer) {
geom::Vec3 point;
if (this->ParsePoint(lexer, point)) {
ParamType pt(WithinParam(point, rv*rv));
- CompOP comp_op= COP_LE;
+ CompOP comp_op=COP_LE;
if (inversion_stack_.back())
comp_op=COP_GE;
SelNode* within_node=new SelNode(Prop(Prop::WITHIN, Prop::VEC_DIST,
@@ -1082,8 +1082,10 @@ Node* QueryImpl::ParseWithinExpr(QueryLexer& lexer) {
ParamType pt(WithinParam(bracketed_expr_.size()-1, rv*rv));
inversion_stack_.pop_back();
CompOP comp_op= COP_LE;
- if (inversion_stack_.back())
+ if (inversion_stack_.back()) {
comp_op=COP_GE;
+ }
+
SelNode* within_node=new SelNode(Prop(Prop::WITHIN, Prop::VEC_DIST,
Prop::ATOM),
comp_op, pt);
diff --git a/modules/mol/base/src/query_state.cc b/modules/mol/base/src/query_state.cc
index 1e5c8d3a2..38562c580 100644
--- a/modules/mol/base/src/query_state.cc
+++ b/modules/mol/base/src/query_state.cc
@@ -73,7 +73,7 @@ bool QueryState::do_within(const geom::Vec3& pos, const WithinParam& p,
if (geom::Dot(d, d) <= p.GetRadiusSquare()) {
return true;
}
- } else if (geom::Dot(d, d) > p.GetRadiusSquare()) {
+ } else if (geom::Dot(d, d) < p.GetRadiusSquare()) {
return false;
}
}
diff --git a/modules/mol/base/tests/test_query.cc b/modules/mol/base/tests/test_query.cc
index f868c468a..bf94f913e 100644
--- a/modules/mol/base/tests/test_query.cc
+++ b/modules/mol/base/tests/test_query.cc
@@ -76,13 +76,13 @@ void ensure_counts(EntityHandle e, const String& qs, int cc, int rc, int ac) {
BOOST_CHECK_NO_THROW(v=e.Select(qs));
BOOST_CHECK_MESSAGE(v.GetChainCount()==cc,
"wrong chain count " << v.GetChainCount()
- << " for query String " << qs);
+ << " for query string " << qs);
BOOST_CHECK_MESSAGE(v.GetResidueCount()==rc,
"wrong residue count " << v.GetResidueCount() <<
- " for query String " << qs);
+ " for query string " << qs);
BOOST_CHECK_MESSAGE(v.GetAtomCount()==ac,
"wrong atom count " << v.GetAtomCount() <<
- " for query String " << qs);
+ " for query string " << qs);
}
@@ -211,6 +211,9 @@ BOOST_AUTO_TEST_CASE(test_query_eval)
ensure_counts(e, "rtype=C", 1, 3, 27);
ensure_counts(e, "not (aname=CA and not aname=CA)", 1, 3, 27);
ensure_counts(e, "3 <> {21.5,35,57.0}", 1, 2, 5);
+ ensure_counts(e, "not 3 <> {21.5,35,57.0}", 1, 3, 22);
+ ensure_counts(e, "3 <> {21.5,35,57} and not 0.5 <> {21.5,35,57} ", 1, 2, 4);
+ ensure_counts(e, "not 0.5 <> [rnum=3]", 1, 2, 19);
ensure_counts(e, "1 <> {0,0,0}", 0, 0, 0);
ensure_counts(e, "gatestpropa:0=1", 1, 1, 1);
ensure_counts(e, "gatestpropa:1.0=1", 1, 3, 27);
--
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