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file: '''4_inspect_results.py'''.
<source lang="Python">
# Python module imports.
from os import getcwd, sep
import re
# relax module imports.
from pipe_control.mol_res_spin import generate_spin_string, return_spin, spin_loop
from specific_analyses.relax_disp.data import generate_r20_key, loop_exp_frq
from specific_analyses.relax_disp.variables import MODEL_R2EFF, MODEL_NOREX_R1RHO_FIT_R1, MODEL_DPL94_FIT_R1, MODEL_TP02_FIT_R1, MODEL_TAP03_FIT_R1, MODEL_MP05_FIT_R1
#########################################
#### Setup
results_dir = getcwd() + sep + 'results_models'
# Load the previous state
state.load(state='final_state.bz2', dir=results_dir)
# Display all pipes
pipe.display()
# Define models which have been analysed.
#MODELS = [MODEL_NOREX_R1RHO_FIT_R1, MODEL_DPL94_FIT_R1, MODEL_TP02_FIT_R1, MODEL_TAP03_FIT_R1, MODEL_MP05_FIT_R1]
MODELS = [MODEL_NOREX_R1RHO_FIT_R1, MODEL_DPL94_FIT_R1]
# Print results for each model.
print("\n################")
print("Printing results")
print("################\n")
for model in MODELS:
# Skip R2eff model.
if model == MODEL_R2EFF:
continue
# Switch to pipe.
pipe.switch(pipe_name='%s - relax_disp' % (model))
print("\nModel: %s" % (model))
# Loop over the spins.
for cur_spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True):
# Generate spin string.
spin_string = generate_spin_string(spin=cur_spin, mol_name=mol_name, res_num=resi, res_name=resn)
# Loop over the parameters.
print("\nOptimised parameters for spin: %s" % (spin_string))
for param in cur_spin.params + ['chi2']:
# Get the value.
if param in ['r1_fit', 'r2']:
for exp_type, frq, ei, mi in loop_exp_frq(return_indices=True):
# Generate the R20 key.
r20_key = generate_r20_key(exp_type=exp_type, frq=frq)
# Get the value.
value = getattr(cur_spin, param)[r20_key]
# Print value.
print("%-10s %-6s %-6s %3.8f" % ("Parameter:", param, "Value:", value))
# For all other parameters.
else:
# Get the value.
value = getattr(cur_spin, param)
# Print value.
print("%-10s %-6s %-6s %3.8f" % ("Parameter:", param, "Value:", value))
# Print the final pipe.
pipe.switch(pipe_name='%s - relax_disp' % ('final'))
print("\nFinal pipe")
# Loop over the spins.
for cur_spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True):
# Generate spin string.
spin_string = generate_spin_string(spin=cur_spin, mol_name=mol_name, res_num=resi, res_name=resn)
# Loop over the parameters.
print("\nOptimised model for spin: %s" % (spin_string))
param = 'model'
# Get the value.
value = getattr(cur_spin, param)
print("%-10s %-6s %-6s %6s" % ("Parameter:", param, "Value:", value))
</source>
= See also =
[[Category:Tutorials]]