Trusted, Bureaucrats, Administrators
1,660
edits
Changes
Created page with "== Example == File: '''mat_example.py''' <source lang="python"> # Get the OS path separator from os import sep # Find relax installation dir from status import Status; status..."
== Example ==
File: '''mat_example.py'''
<source lang="python">
# Get the OS path separator
from os import sep
# Find relax installation dir
from status import Status; status = Status()
# Import some tools to loop over the spins.
from pipe_control.mol_res_spin import return_spin, spin_loop
# Extra tools fo
import specific_analyses.relax_disp.disp_data as dtools
# Plotting facility.
import matplotlib.pyplot as plt
# Path to data
data_path = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'Hansen'+sep+'relax_results'
# Load the state
state.load(data_path+sep+'final_state.bz2', force=True)
# Loop over the spins
for spin, spin_id in spin_loop(return_id=True):
print spin, spin_id
# Get the available data for a spin.
print(dir(spin))
resi_data = []
kex_data = []
for resiob in cdp.mol[0].res:
print resiob.name, resiob.num, resiob.spin[0].kex, resiob.spin[0].model
resi_data.append(resiob.num), kex_data.append(resiob.spin[0].kex)
print(dir(resiob))
plt.plot(resi_data, kex_data, 'ro')
plt.show()
</source>
== To run ==
<source lang="bash">
relax mat_example.py
</source>
Or
<source lang="bash">
$ relax
relax> script('mat_example.py')
</source>
File: '''mat_example.py'''
<source lang="python">
# Get the OS path separator
from os import sep
# Find relax installation dir
from status import Status; status = Status()
# Import some tools to loop over the spins.
from pipe_control.mol_res_spin import return_spin, spin_loop
# Extra tools fo
import specific_analyses.relax_disp.disp_data as dtools
# Plotting facility.
import matplotlib.pyplot as plt
# Path to data
data_path = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'Hansen'+sep+'relax_results'
# Load the state
state.load(data_path+sep+'final_state.bz2', force=True)
# Loop over the spins
for spin, spin_id in spin_loop(return_id=True):
print spin, spin_id
# Get the available data for a spin.
print(dir(spin))
resi_data = []
kex_data = []
for resiob in cdp.mol[0].res:
print resiob.name, resiob.num, resiob.spin[0].kex, resiob.spin[0].model
resi_data.append(resiob.num), kex_data.append(resiob.spin[0].kex)
print(dir(resiob))
plt.plot(resi_data, kex_data, 'ro')
plt.show()
</source>
== To run ==
<source lang="bash">
relax mat_example.py
</source>
Or
<source lang="bash">
$ relax
relax> script('mat_example.py')
</source>