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catch possible exception in fit error calculation, maybe source of #39

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This commit is contained in:
Dominik Demuth 2023-04-06 18:40:16 +02:00
parent 43285b4bd5
commit 330f36fd66
1 changed files with 14 additions and 5 deletions
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19
src/nmreval/fit/minimizer.py
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@ -14,6 +14,8 @@ from .result import FitResultCreator
__all__ = ['FitRoutine', 'FitAbortException'] __all__ = ['FitRoutine', 'FitAbortException']
from ..lib.logger import logger
class FitAbortException(Exception): class FitAbortException(Exception):
pass pass
@ -464,11 +466,18 @@ class FitRoutine(object):
def _calc_error(jac, chi, nobs, nvars): def _calc_error(jac, chi, nobs, nvars):
# copy of scipy.curve_fit to calculate covariance # copy of scipy.curve_fit to calculate covariance
# noinspection PyTupleAssignmentBalance # noinspection PyTupleAssignmentBalance
_, s, vt = la.svd(jac, full_matrices=False) try:
threshold = EPS * max(jac.shape) * s[0] _, s, vt = la.svd(jac, full_matrices=False)
s = s[s > threshold] except ValueError as e:
vt = vt[:s.size] # this may be issue #39: On entry to DGESSD parameter had an illegal value
pcov = np.dot(vt.T / s**2, vt) * chi / (nobs - nvars) # catch this exception and ignore error calculation
logger.error(f'Error calculation failed with {e.args}')
pcov = None
else:
threshold = EPS * max(jac.shape) * s[0]
s = s[s > threshold]
vt = vt[:s.size]
pcov = np.dot(vt.T / s**2, vt) * chi / (nobs - nvars)
if pcov is None: if pcov is None:
_err = np.zeros(nvars) _err = np.zeros(nvars)