Fix is_cis

CMakeLists.txt

@@ -25,7 +25,7 @@
 cmake_minimum_required(VERSION 3.16)
 cmake_minimum_required(VERSION 3.16)
 
 
 # set the project name
 # 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 "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
 list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
 
 

changelog

+Version 5.0.7
+- Fix is_cis
+
 Version 5.0.6
 Version 5.0.6
 - Fix file::contains, using iequals
 - Fix file::contains, using iequals
 
 

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