예제 #1
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 def test_missing_spectra_and_nums_frequency(self, ids, shifts, tol):
     """Test that an error is raised if both, spectra
     and nums_frequency are missing."""
     with pytest.raises(ValueError,
                        match="Either nums_frequency or spectra"):
         _prepare_jobs(ids,
                       nums_frequency=None,
                       spectra=None,
                       shifts=shifts,
                       atol=tol)
예제 #2
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    def test_with_nums_frequency(self, ids, spectra, nums_frequency, tol):
        """Test the prepared jobs when using nums_frequency."""
        """Test ``_prepare_jobs`` with a large variety of test cases (cheap)."""

        ids_, recon_fn, jobs, need_f0 = _prepare_jobs(
            ids,
            nums_frequency,
            None,
            None,
            atol=tol,
        )

        # Check ids
        if ids is None:
            assert self.nested_dict_ids_match(nums_frequency, ids_)
        else:
            assert self.ids_match(ids, ids_)

        # Check function to use for 1D reconstructions
        assert recon_fn == _reconstruct_equ

        # Check reconstruction jobs to be run
        assert self.nested_dict_ids_match(jobs, ids_)

        for _id, _jobs in jobs.items():
            for idx, job in _jobs.items():
                if nums_frequency[_id][idx] == 0:
                    assert job is None
                    continue
                assert list(job.keys()) == ["num_frequency"]
                assert job["num_frequency"] == nums_frequency[_id][idx]
        # always need fun at zero if equidistant reconstruction is performed
        assert need_f0
예제 #3
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    def test_with_spectra(self, ids, spectra, tol):
        """Test the prepared jobs when using spectra and shifts."""
        ids_, recon_fn, jobs, need_f0 = _prepare_jobs(
            ids,
            nums_frequency=None,
            spectra=spectra,
            shifts=None,
            atol=tol,
        )
        if ids is None:
            assert self.nested_dict_ids_match(spectra, ids_)
        else:
            assert self.ids_match(ids, ids_)

        # Check function to use for 1D reconstructions
        assert recon_fn == _reconstruct_gen

        # Check reconstruction jobs to be run
        assert self.nested_dict_ids_match(jobs, ids_)

        # Check all job details
        for _id, _jobs in jobs.items():
            for idx, job in _jobs.items():
                if len(spectra[_id][idx]) == 1:
                    assert job is None
                    continue
                assert list(job.keys()) == ["shifts", "spectrum"]
                assert job["shifts"] is None
                assert job["spectrum"] == spectra[_id][idx]
        assert need_f0
예제 #4
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    def test_with_spectra_and_shifts(self, ids, spectra, shifts, tol):
        """Test the prepared jobs when using spectra and shifts."""
        ids_, recon_fn, jobs, need_f0 = _prepare_jobs(
            ids,
            nums_frequency=None,
            spectra=spectra,
            shifts=shifts,
            atol=tol,
        )
        if ids is None:
            assert self.nested_dict_ids_match(spectra, ids_)
        else:
            assert self.ids_match(ids, ids_)

        # Check function to use for 1D reconstructions
        assert recon_fn == _reconstruct_gen

        # Check reconstruction jobs to be run
        assert self.nested_dict_ids_match(jobs, ids_)

        # Check all job details
        for _id, _jobs in jobs.items():
            for idx, job in _jobs.items():
                if len(spectra[_id][idx]) == 1:
                    assert job is None
                    continue
                assert list(job.keys()) == ["shifts", "spectrum"]
                assert job["shifts"] == shifts[_id][idx]
                assert job["spectrum"] == spectra[_id][idx]
        # sometimes need fun at zero if general reconstruction is performed
        _all_shifts = chain.from_iterable(
            [
                sum(
                    [
                        __shifts
                        for par_idx, __shifts in _shifts.items()
                        if id_ in ids_ and par_idx in ids_[id_]
                    ],
                    [],
                )
                for id_, _shifts in shifts.items()
            ],
        )
        assert need_f0 == any(np.isclose(_shift, 0.0, atol=tol, rtol=0) for _shift in _all_shifts)