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check if Default.agr knows what a graph is; helps with #124

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Dominik Demuth 2023-09-27 18:06:53 +02:00
parent 6f76349932
commit 902a35b71a
2 changed files with 5 additions and 2 deletions
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4
src/nmreval/fit/minimizer.py
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@ -278,7 +278,7 @@ class FitRoutine(object):
data._model = self.fit_model
self._no_own_model.append(data)
data.parameter.prepare_bounds()
# data.parameter.prepare_bounds()
return self._prep_parameter(data.parameter)
@ -309,7 +309,7 @@ class FitRoutine(object):
for k, v in data.model.parameter.items():
data.replace_parameter(k, v)
data.parameter.prepare_bounds()
# data.parameter.prepare_bounds()
actual_pars = []
for i, p_k in enumerate(data.para_keys):

3
src/nmreval/io/graceeditor.py
View File

@ -207,6 +207,9 @@ class GraceEditor:
self.graphs[-1].append(line)
if len(self.defaults.graphs) == 0:
raise ValueError(f'Default Grace file in {config_paths().joinpath("Default.agr")} has no information about graphs, please replace this file')
self._fix_tuda_colors()
def _make_graph(self, line: str):