Fix is_cis

e8031aeb · Maarten L. Hekkelman · 19706559 · e8031aeb · e8031aeb · e8031aeb
Commit e8031aeb authored Jan 17, 2023 by Maarten L. Hekkelman
Hide whitespace changes
Inline Side-by-side

Showing with 5 additions and 2 deletions

CMakeLists.txt
+1 -1

changelog
+3 -0

src/model.cpp
+1 -1

No files found.
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -25,7 +25,7 @@
 cmake_minimum_required(VERSION 3.16)

 # set the project name
-project(cifpp VERSION 5.0.6 LANGUAGES CXX)
+project(cifpp VERSION 5.0.7 LANGUAGES CXX)

 list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")


--- a/changelog
+++ b/changelog
+Version 5.0.7
+- Fix is_cis
+
 Version 5.0.6
 - Fix file::contains, using iequals


--- a/src/model.cpp
+++ b/src/model.cpp
@@ -935,7 +935,7 @@ float monomer::omega(const monomer &a, const monomer &b)

 bool monomer::is_cis(const monomer &a, const monomer &b)
 {
-	return omega(a, b) < 30.0f;
+	return std::abs(omega(a, b)) < 30.0f;
 }

 // --------------------------------------------------------------------