Author: bugman
Date: Fri Feb 6 15:05:30 2015
New Revision: 27599
URL: http://svn.gna.org/viewcvs/relax?rev=27599&view=rev
Log:
Fixes for the new pipe_control.plotting.write_xy() function.
This includes missing imports which should have moved from pipe_control.grace,
as well as shifting
the axis_setup() function from the pipe_control.grace module into the
pipe_control.plotting module.
Modified:
trunk/pipe_control/grace.py
trunk/pipe_control/plotting.py
Modified: trunk/pipe_control/grace.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/grace.py?rev=27599&r1=27598&r2=27599&view=diff
==============================================================================
--- trunk/pipe_control/grace.py (original)
+++ trunk/pipe_control/grace.py Fri Feb 6 15:05:30 2015
@@ -29,85 +29,12 @@
# relax module imports.
from lib.errors import RelaxError, RelaxNoSequenceError, RelaxNoSimError
from lib.io import get_file_path, open_write_file, test_binary
-from lib.plotting.api import write_xy_data, write_xy_header
from lib.warnings import RelaxWarning
from pipe_control.mol_res_spin import count_molecules, count_residues,
count_spins, exists_mol_res_spin_data
from pipe_control import pipes
-from pipe_control.pipes import check_pipe
from pipe_control.plotting import assemble_data
from specific_analyses.api import return_api
from status import Status; status = Status()
-
-
-def axis_setup(data_type=None, norm=True):
- """Determine the axis information for relax data store specific data.
-
- @keyword data_type: The axis data category (in the [X, Y] list format).
- @type data_type: list of str
- @keyword norm: The normalisation flag which if set to True will cause
all graphs to be normalised to a starting value of 1.
- @type norm: bool
- @return: The axis information. This includes the sequence
type, the list of lower bounds, the list of upper bounds, and the axis labels.
- @rtype: list of str or None, list of int or None, list of int
or None, list of str or None
- """
-
- # Axis specific settings.
- axes = ['x', 'y']
- seq_type = [None, None]
- axis_labels = [None, None]
- for i in range(2):
- # Determine the sequence data type.
- if data_type[i] == 'res_num':
- seq_type[i] = 'res'
-
- # Analysis specific methods for making labels.
- analysis_spec = False
- if pipes.cdp_name():
- # Flag for making labels.
- analysis_spec = True
-
- # The specific analysis API object.
- api = return_api()
-
- # Some axis default values for spin data.
- if data_type[i] == 'res_num':
- # Residue only data.
- if seq_type[i] == 'res':
- # X-axis label.
- if not axis_labels[i]:
- axis_labels[i] = "Residue number"
-
- # Spin only data.
- if seq_type[i] == 'spin':
- # X-axis label.
- if not axis_labels[i]:
- axis_labels[i] = "Spin number"
-
- # Mixed data.
- if seq_type[i] == 'mixed':
- # X-axis label.
- if not axis_labels[i]:
- axis_labels[i] = "Spin identification string"
-
- # Some axis default values for other data types.
- else:
- # Label.
- if analysis_spec and not axis_labels[i]:
- # Get the units.
- units = api.return_units(data_type[i])
-
- # Set the label.
- axis_labels[i] = api.return_grace_string(data_type[i])
-
- # Add units.
- if units:
- axis_labels[i] = axis_labels[i] + "\\N (" + units + ")"
-
- # Normalised data.
- if norm and axes[i] == 'y':
- axis_labels[i] = axis_labels[i] + " \\N\\q(normalised)\\Q"
-
- # Return the data.
- return seq_type, axis_labels
def determine_seq_type(spin_id=None):
Modified: trunk/pipe_control/plotting.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/plotting.py?rev=27599&r1=27598&r2=27599&view=diff
==============================================================================
--- trunk/pipe_control/plotting.py (original)
+++ trunk/pipe_control/plotting.py Fri Feb 6 15:05:30 2015
@@ -28,7 +28,10 @@
# relax module imports.
from lib.errors import RelaxError
-from pipe_control.mol_res_spin import spin_loop
+from lib.io import get_file_path, open_write_file
+from lib.plotting.api import write_xy_data, write_xy_header
+from pipe_control.mol_res_spin import check_mol_res_spin_data, spin_loop
+from pipe_control.pipes import cdp_name, check_pipe
from pipe_control.result_files import add_result_file
from specific_analyses.api import return_api
@@ -466,6 +469,77 @@
# Return the data.
return data, set_labels, x_err_flag, y_err_flag
+
+
+def axis_setup(data_type=None, norm=True):
+ """Determine the axis information for relax data store specific data.
+
+ @keyword data_type: The axis data category (in the [X, Y] list format).
+ @type data_type: list of str
+ @keyword norm: The normalisation flag which if set to True will cause
all graphs to be normalised to a starting value of 1.
+ @type norm: bool
+ @return: The axis information. This includes the sequence
type, the list of lower bounds, the list of upper bounds, and the axis labels.
+ @rtype: list of str or None, list of int or None, list of int
or None, list of str or None
+ """
+
+ # Axis specific settings.
+ axes = ['x', 'y']
+ seq_type = [None, None]
+ axis_labels = [None, None]
+ for i in range(2):
+ # Determine the sequence data type.
+ if data_type[i] == 'res_num':
+ seq_type[i] = 'res'
+
+ # Analysis specific methods for making labels.
+ analysis_spec = False
+ if cdp_name():
+ # Flag for making labels.
+ analysis_spec = True
+
+ # The specific analysis API object.
+ api = return_api()
+
+ # Some axis default values for spin data.
+ if data_type[i] == 'res_num':
+ # Residue only data.
+ if seq_type[i] == 'res':
+ # X-axis label.
+ if not axis_labels[i]:
+ axis_labels[i] = "Residue number"
+
+ # Spin only data.
+ if seq_type[i] == 'spin':
+ # X-axis label.
+ if not axis_labels[i]:
+ axis_labels[i] = "Spin number"
+
+ # Mixed data.
+ if seq_type[i] == 'mixed':
+ # X-axis label.
+ if not axis_labels[i]:
+ axis_labels[i] = "Spin identification string"
+
+ # Some axis default values for other data types.
+ else:
+ # Label.
+ if analysis_spec and not axis_labels[i]:
+ # Get the units.
+ units = api.return_units(data_type[i])
+
+ # Set the label.
+ axis_labels[i] = api.return_grace_string(data_type[i])
+
+ # Add units.
+ if units:
+ axis_labels[i] = axis_labels[i] + "\\N (" + units + ")"
+
+ # Normalised data.
+ if norm and axes[i] == 'y':
+ axis_labels[i] = axis_labels[i] + " \\N\\q(normalised)\\Q"
+
+ # Return the data.
+ return seq_type, axis_labels
def classify_graph_2D(x_data_name=None, y_data_name=None, x_type=None,
y_type=None):
@@ -663,12 +737,9 @@
@type norm: bool
"""
- # Test if the current pipe exists.
+ # Checks.
check_pipe()
-
- # Test if the sequence data is loaded.
- if not exists_mol_res_spin_data():
- raise RelaxNoSequenceError
+ check_mol_res_spin_data()
# Test if the plot_data argument is one of 'value', 'error', or 'sim'.
if plot_data not in ['value', 'error', 'sim']:
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