Changeset feb89f

Timestamp:

Sep 1, 2016, 9:44:17 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Gui_Fixes

Children:

c40e1f8

Parents:

70436b

Message:

Added additional checks to training data sensibility of PotentialTrainer.

File:

• src/Potentials/PotentialTrainer.cpp (modified) (1 diff)

src/Potentials/PotentialTrainer.cpp

@@ -95 +95 @@
     TrainingData data(model->getSpecificFilter());
     data(_homologies.getHomologousGraphs(_graph));
+
+    // check data
+    const TrainingData::FilteredInputVector_t &inputs = data.getTrainingInputs();
+    for (TrainingData::FilteredInputVector_t::const_iterator iter = inputs.begin();
+        iter != inputs.end(); ++iter)
+      if (((*iter).empty()) || ((*iter).front().empty())) {
+        ELOG(1, "At least one of the training inputs is empty! Correct fragment and potential charges selected?");
+        return false;
+      }
+    const TrainingData::OutputVector_t &outputs = data.getTrainingOutputs();
+    for (TrainingData::OutputVector_t::const_iterator iter = outputs.begin();
+        iter != outputs.end(); ++iter)
+      if ((*iter).empty()) {
+        ELOG(1, "At least one of the training outputs is empty! Correct fragment and potential charges selected?");
+        return false;
+      }
 
     // print distances and energies if desired for debugging