diff options
Diffstat (limited to 'lib/dfatool.py')
| -rwxr-xr-x | lib/dfatool.py | 13 |
1 files changed, 7 insertions, 6 deletions
diff --git a/lib/dfatool.py b/lib/dfatool.py index d75653d..4a4435d 100755 --- a/lib/dfatool.py +++ b/lib/dfatool.py @@ -389,6 +389,7 @@ class AnalyticFunction: self._model_str = function_str rawfunction = function_str self._dependson = [False] * (len(parameters) + num_args) + self.fit_success = False for i in range(len(parameters)): if rawfunction.find('parameter({})'.format(parameters[i])) >= 0: @@ -437,8 +438,6 @@ class AnalyticFunction: def fit(self, by_param, state_or_tran, model_attribute): X, Y, num_valid, num_total = self._get_fit_data(by_param, state_or_tran, model_attribute) - if state_or_tran == 'send': - print('{} {} dependson {}'.format(state_or_tran, model_attribute, self._dependson)) if num_valid > 2: error_function = lambda P, X, y: self._function(P, X) - y try: @@ -448,6 +447,7 @@ class AnalyticFunction: return if res.status > 0: self._regression_args = res.x + self.fit_success = True else: print('[W] Fit failed for {}/{}: {} (function: {})'.format(state_or_tran, model_attribute, res.message, self._model_str)) else: @@ -913,10 +913,11 @@ class EnergyModel: if len(fit_results.keys()): x = analytic.function_powerset(fit_results, self._parameter_names, num_args) x.fit(self.by_param, state_or_tran, model_attribute) - param_model[state_or_tran][model_attribute] = { - 'fit_result': fit_results, - 'function' : x - } + if x.fit_success: + param_model[state_or_tran][model_attribute] = { + 'fit_result': fit_results, + 'function' : x + } def model_getter(name, key, **kwargs): if key in param_model[name]: |