From f17b73ec31f4476b380b90237204e1aae154d572 Mon Sep 17 00:00:00 2001
From: Saku Hakamaa <sajuhak@utu.fi>
Date: Thu, 29 Nov 2018 13:27:39 +0200
Subject: [PATCH] Improve plot titles
---
ovito_overlay.py | 1 +
vis.py | 24 ++++++++++++++++++------
2 files changed, 19 insertions(+), 6 deletions(-)
diff --git a/ovito_overlay.py b/ovito_overlay.py
index b725ba9..3570e2a 100644
--- a/ovito_overlay.py
+++ b/ovito_overlay.py
@@ -18,6 +18,7 @@
# ------------------------------
import ovito
+
# This user-defined function is called by OVITO to let it draw arbitrary graphics on top of the viewport.
# It is passed a QPainter (see http://qt-project.org/doc/qt-5/qpainter.html).
def render(painter, **args):
diff --git a/vis.py b/vis.py
index ced7329..ad93e34 100644
--- a/vis.py
+++ b/vis.py
@@ -89,8 +89,12 @@ def draw_figures(z_positions, dict_concs_mean, energy_list, frame_list, fig_rang
plt.ylim(-1, 101)
plt.grid()
plt.legend()
- plt.title('Average concentrations from frame {start} to {end}'.format(start=profile_mean_range[0],
- end=profile_mean_range[-1]))
+ if profile_mean_range[0] == profile_mean_range[-1]:
+ title_str = 'Concentrations at frame {frame}'.format(frame=profile_mean_range[0])
+ else:
+ title_str = 'Average concentrations from frame {start} to {end}'.format(start=profile_mean_range[0],
+ end=profile_mean_range[-1])
+ plt.title(title_str)
figure_mean.savefig(os.path.join(out_path, 'profile_mean.pdf'))
data_matrix = np.transpose(np.matrix(data_matrix))
np.savetxt(os.path.join(out_path, "profile_mean.txt"), data_matrix, header=' '.join(data_header), fmt='%.6f')
@@ -103,8 +107,12 @@ def draw_figures(z_positions, dict_concs_mean, energy_list, frame_list, fig_rang
plt.ylim(-1, 101)
plt.grid()
plt.legend()
- plt.title('Average concentrations from frame {start} to {end}'.format(start=profile_mean_range[0],
- end=profile_mean_range[-1]))
+ if profile_mean_range[0] == profile_mean_range[-1]:
+ title_str = 'Filtered concentrations at frame {frame}'.format(frame=profile_mean_range[0])
+ else:
+ title_str = 'Filtered average concentrations from frame {start} to {end}'.format(start=profile_mean_range[0],
+ end=profile_mean_range[-1])
+ plt.title(title_str)
figure_mean_filtered.savefig(os.path.join(out_path, 'profile_mean_filtered.pdf'))
# ------------------------------
@@ -147,8 +155,11 @@ def draw_figures(z_positions, dict_concs_mean, energy_list, frame_list, fig_rang
def update(frame_number):
plt.figure(figure_anim.number)
atom_dict_concs = frame_list[frame_number]
-
- plt.title('Concentrations at frame {frame}'.format(frame=frame_number))
+ if average_filter:
+ title_str = 'Filtered concentrations at frame {frame}'.format(frame=frame_number)
+ else:
+ title_str = 'Concentrations at frame {frame}'.format(frame=frame_number)
+ plt.title(title_str)
for symbol, line in lines:
data = atom_dict_concs[symbol]
if average_filter:
@@ -433,5 +444,6 @@ if __name__ == '__main__':
arguments.average_filter,
multi_path)
+ # TODO: write average lattice creation, simulation time
multi_report_file.close()
print("OK")
--
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