improved warning stderr for zero poses after docking

diogomart · diogomart · commit 274305f28a49 · 2023-06-15T22:46:43.000-07:00
diff --git a/src/lib/vina.cpp b/src/lib/vina.cpp
@@ -1014,7 +1014,8 @@ void Vina::global_search(const int exhaustiveness, const int n_poses, const doub
 		// Clean up by putting back the best pose in model
 		m_model.set(poses[0].c);
 	} else {
-		std::cerr << "WARNING: Zero poses in output container after global search. Something went wrong.\n";
+		std::cerr << "WARNING: Zero poses in output container after global search. This should not be happening and is likely a bug.\n";
+		std::cerr << "WARNING: If possible, please file a bug report with your input files and random seed on GitHub.\n";
 	}
 
 	// Store results in Vina object

Original file line number	Diff line number	Diff line change
`@@ -1014,7 +1014,8 @@ void Vina::global_search(const int exhaustiveness, const int n_poses, const doub`
`1014`	`1014`	`// Clean up by putting back the best pose in model`
`1015`	`1015`	`m_model.set(poses[0].c);`
`1016`	`1016`	`} else {`
`1017`		`- std::cerr << "WARNING: Zero poses in output container after global search. Something went wrong.\n";`
	`1017`	`+ std::cerr << "WARNING: Zero poses in output container after global search. This should not be happening and is likely a bug.\n";`
	`1018`	`+ std::cerr << "WARNING: If possible, please file a bug report with your input files and random seed on GitHub.\n";`
`1018`	`1019`	`}`
`1019`	`1020`
`1020`	`1021`	`// Store results in Vina object`