From 14baea94bc857379b8d778fe1ad0e816d68e9669 Mon Sep 17 00:00:00 2001 From: Pierre Beaujean Date: Fri, 31 May 2024 16:56:47 +0200 Subject: [PATCH] remove 49 for the moment --- analyses/plot_cplx_Kx1.py | 4 ++-- analyses/plot_cplx_Kx2.py | 2 +- data/Data_cplx_Kx1.csv | 1 - 3 files changed, 3 insertions(+), 4 deletions(-) diff --git a/analyses/plot_cplx_Kx1.py b/analyses/plot_cplx_Kx1.py index a37e2e0..31c5d6c 100644 --- 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 index a6fbd12..516eb7d 100644 --- 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 index 07901ad..2dfc49c 100644 --- 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