Beispiel #1
0
double Simulator::simulate(double time) {
  IMP_FUNCTION_LOG;
  set_is_optimizing_states(true);
  double ret = do_simulate(time);
  set_is_optimizing_states(false);
  return ret;
}
Beispiel #2
0
double Simulator::simulate_wave(double time, double max_time_step_factor,
                                double base) {
  IMP_FUNCTION_LOG;
  set_is_optimizing_states(true);
  double ret = do_simulate_wave(time, max_time_step_factor, base);
  set_is_optimizing_states(false);
  return ret;
}
Beispiel #3
0
double Optimizer::optimize(unsigned int max_steps) {
  IMP_OBJECT_LOG;
  if (!model_) {
    IMP_THROW("Must give the optimizer a model to optimize",
              base::ValueException);
  }
  set_was_used(true);
  set_is_optimizing_states(true);
  double ret= do_optimize(max_steps);
  set_is_optimizing_states(false);
  return ret;
}
Beispiel #4
0
double Optimizer::optimize(unsigned int max_steps) {
  IMP_OBJECT_LOG;
  set_has_required_score_states(true);
  if (!get_model()) {
    IMP_THROW("Must give the optimizer a model to optimize",
              base::ValueException);
  }
  set_was_used(true);
  set_is_optimizing_states(true);
  double ret;
  IMP_THREADS((ret, max_steps), ret = do_optimize(max_steps););
Beispiel #5
0
double Optimizer::optimize(unsigned int max_steps) {
  IMP_OBJECT_LOG;
  if (!scoring_function_) {
    IMP_WARN("No scoring function provided - using Model's implicit "
             "scoring function (deprecated). Recommend you use a "
             "ScoringFunction object instead." << std::endl);
  }

  set_has_required_score_states(true);
  set_was_used(true);
  set_is_optimizing_states(true);
  double ret;
  IMP_THREADS((ret, max_steps), {
    ret = do_optimize(max_steps);
  });