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@@ -5,7 +5,7 @@
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def _master_plot(x, y, title='',
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                 xerr=None, yerr=None,
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                 method_name='', target_name='',
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                 method_name='', target_name='',plot_type=rf'$\Delta \Delta$ G',
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                 guidelines=True, origins=True,
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                 statistics=['RMSE',  'MUE'], filename=None):
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    nsamples = len(x)
@@ -61,7 +61,7 @@
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    if filename is None:
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        plt.show()
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    else:
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        plt.savefig(filename)
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        plt.savefig(filename,bbox_inches='tight')
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def plot_DDGs(results, method_name='', target_name='', title='', map_positive=False, filename=None):
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    # data
@@ -97,10 +97,12 @@
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    # centralising
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    # this should be replaced by providing one experimental result
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    x_data = x_data - np.mean(x_data)
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    y_data = y_data - np.mean(y_data)
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    _master_plot(x_data, y_data,
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                 xerr=xerr, yerr=yerr,
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                 origins=False, statistics=['RMSE','MUE','R2','rho'],
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                 origins=False, statistics=['RMSE','MUE','R2','rho'],plot_type=rf'$\Delta$ G',
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                 title=title, method_name=method_name, target_name=target_name, filename=filename)
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Files Coverage
freeenergyframework 1.78%
Project Totals (6 files) 1.78%
23.4
TRAVIS_OS_NAME=linux
23.3
TRAVIS_OS_NAME=linux
23.2
TRAVIS_OS_NAME=osx
23.1
TRAVIS_OS_NAME=osx

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