[bug #22017] LinAlgError, for all numerical CPMG models. -- May 18, 2014

Follow-up Comment #4, bug #22017 (project relax):

State file attached.

Output from cdp:

cdp
The data pipe storage object.

Objects:
  cpmg_frqs: {'CPMG_499.9_200.0': 200.0, 'CPMG_499.9_160.0': 160.0,
'CPMG_599.9_333.3': 333.33333333333337, 'CPMG_599.9_666.7': 666.6666666666667,
'CPMG_499.9_40.0': 40.0, 'CPMG_499.9_800.0': 800.0, 'CPMG_599.9_500.0': 500.0,
'CPMG_499.9_700.0': 700.0, 'CPMG_599.9_1000.0': 1000.0, 'CPMG_499.9_1000.0':
1000.0, 'CPMG_599.9_66.7': 66.66666666666667, 'CPMG_599.9_33.3':
33.333333333333336, 'CPMG_599.9_166.7': 166.66666666666669,
'CPMG_599.9_133.3': 133.33333333333334, 'CPMG_499.9_600.0': 600.0,
'CPMG_499.9_80.0': 80.0}
  cpmg_frqs_list: [33.333333333333336, 40.0, 66.66666666666667, 80.0,
133.33333333333334, 160.0, 166.66666666666669, 200.0, 333.33333333333337,
500.0, 600.0, 666.6666666666667, 700.0, 800.0, 1000.0]
  dispersion_points: 15
  exp_type: {'CPMG_499.9_200.0': 'SQ CPMG', 'CPMG_499.9_160.0': 'SQ CPMG',
'CPMG_599.9_333.3': 'SQ CPMG', 'CPMG_599.9_666.7': 'SQ CPMG',
'CPMG_499.9_40.0': 'SQ CPMG', 'CPMG_499.9_800.0': 'SQ CPMG',
'CPMG_599.9_500.0': 'SQ CPMG', 'CPMG_499.9_700.0': 'SQ CPMG',
'CPMG_599.9_1000.0': 'SQ CPMG', 'CPMG_499.9_1000.0': 'SQ CPMG',
'CPMG_599.9_66.7': 'SQ CPMG', 'CPMG_599.9_33.3': 'SQ CPMG',
'CPMG_599.9_166.7': 'SQ CPMG', 'CPMG_599.9_133.3': 'SQ CPMG',
'CPMG_499.9_600.0': 'SQ CPMG', 'CPMG_499.9_80.0': 'SQ CPMG'}
  exp_type_list: ['SQ CPMG']
  hybrid_pipes: []
  interatomic: The interatomic data list (for the storage of the inter-spin
system data)
  model_type: 'disp'
  mol: The molecule list (for the storage of the spin system specific data)
  ncyc_even: {'CPMG_499.9_200.0': True, 'CPMG_499.9_160.0': True,
'CPMG_599.9_333.3': True, 'CPMG_599.9_666.7': True, 'CPMG_499.9_40.0': True,
'CPMG_499.9_800.0': True, 'CPMG_599.9_500.0': True, 'CPMG_499.9_700.0': True,
'CPMG_599.9_1000.0': True, 'CPMG_499.9_1000.0': True, 'CPMG_599.9_66.7': True,
'CPMG_599.9_33.3': True, 'CPMG_599.9_166.7': True, 'CPMG_599.9_133.3': True,
'CPMG_499.9_600.0': True, 'CPMG_499.9_80.0': True}
  num_time_pts: 2
  pipe_type: u'relax_disp'
  relax_time_list: [0.05, 0.06]
  relax_times: {'CPMG_499.9_200.0': 0.05, 'CPMG_499.9_160.0': 0.05,
'CPMG_599.9_333.3': 0.06, 'CPMG_599.9_666.7': 0.06, 'CPMG_499.9_40.0': 0.05,
'CPMG_499.9_800.0': 0.05, 'CPMG_599.9_500.0': 0.06, 'CPMG_499.9_700.0': 0.05,
'CPMG_599.9_1000.0': 0.06, 'CPMG_499.9_1000.0': 0.05, 'CPMG_599.9_66.7': 0.06,
'CPMG_599.9_33.3': 0.06, 'CPMG_599.9_166.7': 0.06, 'CPMG_599.9_133.3': 0.06,
'CPMG_499.9_600.0': 0.05, 'CPMG_499.9_80.0': 0.05}
  spectrometer_frq: {'CPMG_499.9_200.0': 499890861.7, 'CPMG_499.9_160.0':
499890861.7, 'CPMG_599.9_333.3': 599890861.6999999, 'CPMG_599.9_666.7':
599890861.6999999, 'CPMG_499.9_40.0': 499890861.7, 'CPMG_499.9_800.0':
499890861.7, 'CPMG_599.9_500.0': 599890861.6999999, 'CPMG_499.9_700.0':
499890861.7, 'CPMG_599.9_1000.0': 599890861.6999999, 'CPMG_499.9_1000.0':
499890861.7, 'CPMG_599.9_66.7': 599890861.6999999, 'CPMG_599.9_33.3':
599890861.6999999, 'CPMG_599.9_166.7': 599890861.6999999, 'CPMG_599.9_133.3':
599890861.6999999, 'CPMG_499.9_600.0': 499890861.7, 'CPMG_499.9_80.0':
499890861.7}
  spectrometer_frq_count: 2
  spectrometer_frq_list: [599890861.6999999, 499890861.7]
  spectrum_ids: ['CPMG_599.9_33.3', 'CPMG_599.9_66.7', 'CPMG_599.9_133.3',
'CPMG_599.9_166.7', 'CPMG_599.9_333.3', 'CPMG_599.9_500.0',
'CPMG_599.9_666.7', 'CPMG_599.9_1000.0', 'CPMG_499.9_40.0', 'CPMG_499.9_80.0',
'CPMG_499.9_160.0', 'CPMG_499.9_200.0', 'CPMG_499.9_600.0',
'CPMG_499.9_700.0', 'CPMG_499.9_800.0', 'CPMG_499.9_1000.0']


cdp.mol[0].res[0].spin[1]
Traceback (most recent call last):
  File "<input>", line 1, in <module>
IndexError: list index out of range
cdp.mol[0].res[0].spin[0]
Class containing all the spin system specific data.


Objects:
  dw: 2.0
  isotope: '15N'
  kex: 1000.0
  model: 'NS CPMG 2-site 3D'
  name: 'N'
  num: None
  pA: 0.99
  params: ['r2', 'pA', 'dw', 'kex']
  r2: {'SQ CPMG - 599.89086170 MHz': 10.0, 'SQ CPMG - 499.89086170 MHz':
11.5}
  r2eff: {'sq_cpmg_599.89086170_0.000_166.667': 1.0,
'sq_cpmg_599.89086170_0.000_500.000': 1.0,
'sq_cpmg_599.89086170_0.000_333.333': 1.0,
'sq_cpmg_599.89086170_0.000_66.667': 1.0,
'sq_cpmg_599.89086170_0.000_133.333': 1.0,
'sq_cpmg_599.89086170_0.000_666.667': 1.0,
'sq_cpmg_599.89086170_0.000_1000.000': 1.0,
'sq_cpmg_599.89086170_0.000_33.333': 1.0}
  r2eff_err: {'sq_cpmg_599.89086170_0.000_166.667': 0.1,
'sq_cpmg_599.89086170_0.000_500.000': 0.1,
'sq_cpmg_599.89086170_0.000_333.333': 0.1,
'sq_cpmg_599.89086170_0.000_66.667': 0.1,
'sq_cpmg_599.89086170_0.000_133.333': 0.1,
'sq_cpmg_599.89086170_0.000_666.667': 0.1,
'sq_cpmg_599.89086170_0.000_1000.000': 0.1,
'sq_cpmg_599.89086170_0.000_33.333': 0.1}
  select: True


(file #20757)
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Additional Item Attachment:

File name: bug_22017.bz2                  Size:2 KB


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[bug #22017] LinAlgError, for all numerical CPMG models.

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