# but WITHOUT ANY WARRANTY; without even the implied warranty of #
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the #
# GNU General Public License for more details. #
# #
# You should have received a copy of the GNU General Public License #
# along with this program. If not, see <http://www.gnu.org/licenses/>. #
# #
###############################################################################
# Module docstring.
"""relax script for regenerating the 'basic_single_pipe.bz2' saved state.
This is for when the saved state becomes incompatible with relax.
"""
# The relax data store.
from data_store import Relax_data_store
ds = Relax_data_store()
# Add a data pipe to the data store.
ds.add(pipe_name='orig', pipe_type='mf')
# Add a single object to the 'orig' data pipe.
ds['orig'].x = 1
# Add a single object to the storage object.
ds.y = 'Hello'
# Save the state.
state.save('basic_single_pipe', force=True)
# relax script for regenerating the 'peak_heights_T2_ncyc1.bz2' saved state. This is necessary when
# the saved state becomes incompatible with relax during development.
# Python module imports.
from os import sep
# The relax data store.
from data_store import Relax_data_store; ds = Relax_data_store()
from status import Status; status = Status()
# Add a data pipe to the data store.
ds.add(pipe_name='rx', pipe_type='relax_fit')
# Load the Lupin Ap4Aase sequence.
sequence.read(file="Ap4Aase.seq", dir=status.install_path + sep+'test_suite'+sep+'shared_data', res_num_col=1, res_name_col=2)
# Name the spins so they can be matched to the assignments.
spin.name(name='N')
# Read the peak heights.
spectrum.read_intensities(file="T2_ncyc1_ave.list", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'curve_fitting', spectrum_id='0.0176')
# Save the state.
state.save('basic_heights_T2_ncyc1', force=True)
###############################################################################
# Module docstring.
"""relax script for regenerating the 'peak_heights_T2_ncyc1.bz2' saved state.
This is necessary when the saved state becomes incompatible with relax during development.
"""
# Python module imports.
from os import sep
# The relax data store.
from data_store import Relax_data_store; ds = Relax_data_store()
from status import Status; status = Status()
# Add a data pipe to the data store.
ds.add(pipe_name='rx', pipe_type='relax_fit')
# Load the Lupin Ap4Aase sequence.
sequence.read(file="Ap4Aase.seq", dir=status.install_path + sep+'test_suite'+sep+'shared_data', res_num_col=1, res_name_col=2)
# Name the spins so they can be matched to the assignments.
spin.name(name='N')
# Read the peak heights.
spectrum.read_intensities(file="T2_ncyc1_ave.list", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'curve_fitting', spectrum_id='0.0176')
# Save the state.
state.save('basic_heights_T2_ncyc1', force=True)
# relax script for regenerating the 'basic_single_pipe.bz2' saved state. This is for when the saved
# state becomes incompatible with relax.
# The relax data store.
from data_store import Relax_data_store; ds = Relax_data_store()
# Add a data pipe to the data store.
ds.add(pipe_name='orig', pipe_type='mf')
# Add a single object to the 'orig' data pipe.
ds['orig'].x = 1
# Add a single object to the storage object.
ds.y = 'Hello'
# Save the state.
state.save('basic_single_pipe', force=True)
