remove 49 for the moment

pierre-24 · May 31, 2024 · 14baea9 · 14baea9
1 parent c1e9f86
commit 14baea9
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Showing 3 changed files with 3 additions and 4 deletions.
diff --git a/analyses/plot_cplx_Kx1.py b/analyses/plot_cplx_Kx1.py
@@ -56,7 +56,7 @@ def helpline_K01(ax, data: pandas.DataFrame, solvent: str, epsilon_r: float, col
 data = pandas.read_csv(args.input)
 
 figure = plt.figure(figsize=(10, 8))
-ax1, ax2 = figure.subplots(2, 1)
+ax1, ax2 = figure.subplots(2, 1, sharey=True)
 
 helpline_K01(ax1, data, 'water', 80, 'black')
 
@@ -68,7 +68,7 @@ def helpline_K01(ax, data: pandas.DataFrame, solvent: str, epsilon_r: float, col
 
 ax1.legend(ncols=5)
 ax1.set_xlim(0.5,61.5)
-ax1.text(38, 1, "Water", fontsize=18)
+ax1.text(38, -2, "Water", fontsize=18)
 ax1.xaxis.set_minor_locator(MultipleLocator(2))
 ax1.grid(which='both', axis='x')
 ax1.plot([0, 62], [0, 0], '-', color='grey')

diff --git a/analyses/plot_cplx_Kx2.py b/analyses/plot_cplx_Kx2.py
@@ -57,7 +57,7 @@ def helpline_K02(ax, data: pandas.DataFrame, solvent: str, epsilon_r: float, col
 data = pandas.read_csv(args.input)
 
 figure = plt.figure(figsize=(10, 8))
-ax1, ax2 = figure.subplots(2, 1)
+ax1, ax2 = figure.subplots(2, 1, sharey=True)
 
 helpline_K02(ax1, data, 'water', 80, 'black')
 

diff --git a/data/Data_cplx_Kx1.csv b/data/Data_cplx_Kx1.csv
@@ -65,7 +65,6 @@ mol_45,Family.APO,0,True,False,SMD,water,174,-214.085022843576,4.97985309083735,
 mol_46,Family.APO,0,True,False,SMD,water,174,-214.085800825611,5.15108805707995,7.42744476389109,3.8446135702925
 mol_47,Family.APO,0,True,False,SMD,water,174,-214.088066126637,5.55292741692729,5.87240784173383,4.19572644398354
 mol_48,Family.APO,0,True,False,SMD,water,174,-214.087784535022,4.78981858909083,5.01323287161971,6.53950851814495
-mol_49,Family.APO,0,True,False,SMD,water,138,-214.11417818127,4.13913147787968,4.58437497575958,
 mol_50,Family.APO,0,True,False,SMD,water,138,-214.087202522974,4.56930166789311,6.53432752884912,3.76585148720027
 mol_51,Family.APO,0,True,False,SMD,water,138,-214.086490737922,4.48537124437374,6.45431698595079,3.99647483808988
 mol_52,Family.APO,0,True,False,SMD,water,152,-214.09275503752,4.11707548683883,4.54641863132996,5.12960341955202