Ejemplo n.º 1
0
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_SQ, MODEL_TSMFK01

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_TSMFK01,
                 r2a=5.0,
                 dw=3.0,
                 k_AB=10.0,
                 spins_params=['r2a', 'dw', 'k_AB'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_TSMFK01,
                  r2a=5.0,
                  dw=3.0,
                  k_AB=10.0,
                  spins_params=['r2a', 'dw', 'k_AB'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 2
0
#                                                                             #
# This file is part of the program relax (http://www.nmr-relax.com).          #
#                                                                             #
# This program is free software: you can redistribute it and/or modify        #
# it under the terms of the GNU General Public License as published by        #
# the Free Software Foundation, either version 3 of the License, or           #
# (at your option) any later version.                                         #
#                                                                             #
# This program is distributed in the hope that it will be useful,             #
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_MQ, MODEL_NS_MMQ_3SITE_LINEAR


# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_MQ], num_spins=NUM_SPINS_SINGLE, model=MODEL_NS_MMQ_3SITE_LINEAR, r2=5.0, dw_AB=1.0, dw_BC=2.0, dwH_AB=0.01, dwH_BC=0.02, pA=0.8, kex_AB=5000.0, pB=0.1, kex_BC=3000.0, spins_params=['r2', 'dw_AB', 'dw_BC', 'dwH_AB', 'dwH_BC', 'pA', 'kex_AB', 'pB', 'kex_BC'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_MQ], num_spins=NUM_SPINS_CLUSTER, model=MODEL_NS_MMQ_3SITE_LINEAR, r2=5.0, dw_AB=1.0, dw_BC=2.0, dwH_AB=0.01, dwH_BC=0.02, pA=0.8, kex_AB=5000.0, pB=0.1, kex_BC=3000.0, spins_params=['r2', 'dw_AB', 'dw_BC', 'dwH_AB', 'dwH_BC', 'pA', 'kex_AB', 'pB', 'kex_BC'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 3
0
#                                                                             #
# You should have received a copy of the GNU General Public License           #
# along with this program.  If not, see <http://www.gnu.org/licenses/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_SQ, MODEL_B14

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_B14,
                 r2a=5.0,
                 r2b=10.0,
                 dw=3.0,
                 pA=0.9,
                 kex=1000.0,
                 spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_B14,
                  r2a=5.0,
                  r2b=10.0,
                  dw=3.0,
                  pA=0.9,
                  kex=1000.0,
                  spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex'])

# Execute main function.
Ejemplo n.º 4
0
#                                                                             #
# This file is part of the program relax (http://www.nmr-relax.com).          #
#                                                                             #
# This program is free software: you can redistribute it and/or modify        #
# it under the terms of the GNU General Public License as published by        #
# the Free Software Foundation, either version 3 of the License, or           #
# (at your option) any later version.                                         #
#                                                                             #
# This program is distributed in the hope that it will be useful,             #
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_R1RHO, MODEL_NS_R1RHO_3SITE


# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_R1RHO], num_spins=NUM_SPINS_SINGLE, model=MODEL_NS_R1RHO_3SITE, r2=5.0, dw_AB=1.0, dw_BC=2.0, pA=0.8, kex_AB=5000.0, pB=0.1, kex_BC=3000.0, kex_AC=1000.0, spins_params=['r2', 'dw_AB', 'dw_BC', 'pA', 'kex_AB', 'pB', 'kex_BC', 'kex_AC'])
CLUSTER = Profile(exp_type=[EXP_TYPE_R1RHO], num_spins=NUM_SPINS_CLUSTER, model=MODEL_NS_R1RHO_3SITE, r2=5.0, dw_AB=1.0, dw_BC=2.0, pA=0.8, kex_AB=5000.0, pB=0.1, kex_BC=3000.0, kex_AC=1000.0, spins_params=['r2', 'dw_AB', 'dw_BC', 'pA', 'kex_AB', 'pB', 'kex_BC', 'kex_AC'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 5
0
#                                                                             #
# You should have received a copy of the GNU General Public License           #
# along with this program.  If not, see <http://www.gnu.org/licenses/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile, version_comparison
from lib.dispersion.variables import EXP_TYPE_CPMG_SQ, MODEL_IT99
from version import version

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_IT99,
                 r2=5.0,
                 dw=3.0,
                 pA=0.9,
                 tex=1 / 1000.0,
                 spins_params=['r2', 'dw', 'pA', 'tex'])
num_spins = NUM_SPINS_CLUSTER
if version != 'repository checkout' and version_comparison(version,
                                                           '3.2.2') != 1:
    num_spins = NUM_SPINS_SINGLE
    print(
        "WARNING: Cluster of only 1 spin analysis, since v. 3.2.2 had a bug with clustering analysis."
    )
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                  num_spins=num_spins,
                  model=MODEL_IT99,
                  r2=5.0,
                  dw=3.0,
Ejemplo n.º 6
0
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_R1RHO, MODEL_DPL94

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_R1RHO],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_DPL94,
                 r2=5.0,
                 phi_ex=1.0,
                 kex=5000.0,
                 spins_params=['r2', 'phi_ex', 'kex'])
CLUSTER = Profile(exp_type=[EXP_TYPE_R1RHO],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_DPL94,
                  r2=5.0,
                  phi_ex=1.0,
                  kex=5000.0,
                  spins_params=['r2', 'phi_ex', 'kex'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 7
0
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_R1RHO, MODEL_NS_R1RHO_2SITE

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_R1RHO],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_NS_R1RHO_2SITE,
                 r2=5.0,
                 dw=1.0,
                 pA=0.9,
                 kex=5000.0,
                 spins_params=['r2', 'dw', 'pA', 'kex'])
CLUSTER = Profile(exp_type=[EXP_TYPE_R1RHO],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_NS_R1RHO_2SITE,
                  r2=5.0,
                  dw=1.0,
                  pA=0.9,
                  kex=5000.0,
                  spins_params=['r2', 'dw', 'pA', 'kex'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 8
0
#                                                                             #
# This program is distributed in the hope that it will be useful,             #
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_SQ, MODEL_NOREX

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_NOREX,
                 r2=5.0,
                 spins_params=['r2'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_NOREX,
                  r2=5.0,
                  spins_params=['r2'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 9
0
#                                                                             #
# You should have received a copy of the GNU General Public License           #
# along with this program.  If not, see <http://www.gnu.org/licenses/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_MQ, MODEL_NS_MMQ_2SITE

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_MQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_NS_MMQ_2SITE,
                 r2=5.0,
                 dw=3.0,
                 dwH=0.03,
                 pA=0.9,
                 kex=1000.0,
                 spins_params=['r2', 'dw', 'dwH', 'pA', 'kex'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_MQ],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_NS_MMQ_2SITE,
                  r2=5.0,
                  dw=3.0,
                  dwH=0.03,
                  pA=0.9,
                  kex=1000.0,
                  spins_params=['r2', 'dw', 'dwH', 'pA', 'kex'])

# Execute main function.
Ejemplo n.º 10
0
# 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/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_SQ, MODEL_LM63

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_LM63,
                 r2=5.0,
                 phi_ex=3.0,
                 kex=1000.0,
                 spins_params=['r2', 'phi_ex', 'kex'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_LM63,
                  r2=5.0,
                  phi_ex=3.0,
                  kex=1000.0,
                  spins_params=['r2', 'phi_ex', 'kex'])

# Execute main function.
if __name__ == "__main__":
    main()
Ejemplo n.º 11
0
Archivo: dummy.py Proyecto: sque/nsts
class DummyTestReceiver(ProfileExecutor):
    def is_supported(self):
        return True

    def prepare(self):
        pass

    def run(self):
        self.collect_results()

    def cleanup(self):
        pass


p = Profile("dummy", "Dummy SpeedTest", DummyTestSender, DummyTestReceiver,
            "A truly dummy test that returns some random numbers.")
p.supported_options.add_option('min_transfer',
                               'The minimum random value of transfer',
                               units.BitRate,
                               default=0)
p.supported_options.add_option('max_transfer',
                               'The maximum random value of transfer',
                               units.BitRate,
                               default=1)
p.supported_options.add_option('min_time',
                               'The minimum random value of time',
                               units.Time,
                               default=0)
p.supported_options.add_option('max_time',
                               'The maximum random value of time',
                               units.Time,
Ejemplo n.º 12
0
#                                                                             #
# You should have received a copy of the GNU General Public License           #
# along with this program.  If not, see <http://www.gnu.org/licenses/>.       #
#                                                                             #
###############################################################################

# relax module imports.
from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single, Profile
from lib.dispersion.variables import EXP_TYPE_CPMG_SQ, MODEL_LM63_3SITE

# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                 num_spins=NUM_SPINS_SINGLE,
                 model=MODEL_LM63_3SITE,
                 r2=5.0,
                 phi_ex_B=3.0,
                 phi_ex_C=4.0,
                 kB=2000.0,
                 kC=1000.0,
                 spins_params=['r2', 'phi_ex_B', 'phi_ex_C', 'kB', 'kC'])
CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ],
                  num_spins=NUM_SPINS_CLUSTER,
                  model=MODEL_LM63_3SITE,
                  r2=5.0,
                  phi_ex_B=3.0,
                  phi_ex_C=4.0,
                  kB=2000.0,
                  kC=1000.0,
                  spins_params=['r2', 'phi_ex_B', 'phi_ex_C', 'kB', 'kC'])

# Execute main function.