Difference between revisions of "Grace write"

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=== r2eff ===
 
=== r2eff ===
 
<source lang="python">
 
<source lang="python">
grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir='final', force=True, norm=False)
+
import os
 +
OUT = os.path.join(os.getcwd(),'final')
 +
if not os.path.isdir(OUT): os.makedirs(OUT)
 +
grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir=OUT, force=True, norm=False)
 +
 
 
</source>
 
</source>
  

Revision as of 09:16, 17 June 2013

Manual

For API, see generic_fns.grace and online manual.

r2eff

import os
OUT = os.path.join(os.getcwd(),'final')
if not os.path.isdir(OUT): os.makedirs(OUT)
grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir=OUT, force=True, norm=False)

See also