matmalib 0.2.2__tar.gz → 0.2.4__tar.gz

{matmalib-0.2.2 → matmalib-0.2.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: matmalib
-Version: 0.2.2
+Version: 0.2.4
 Summary: Add your description here
 Requires-Python: >=3.12
 Description-Content-Type: text/markdown

{matmalib-0.2.2 → matmalib-0.2.4}/matmalib/viz.py

@@ -1,5 +1,3 @@
-from turtle import color
-
 import matplotlib
 import numpy as np
 import matplotlib.pyplot as plt
@@ -382,7 +380,7 @@ class Plot():
         # plot = ax.contourf(x_edges[:-1], y_edges[:-1], Hall.T, cmap=cmap, zorder=1, levels=num_levels)
 
         cb_ticks = np.linspace(vmin, vmax, 6)
-        cb = fig.colorbar(plot, ax=ax, ticks=cb_ticks, pad=0.05, shrink=0.78)
+        cb = fig.colorbar(plot, ax=ax, ticks=cb_ticks, pad=0.05, shrink=0.6)
         cb.ax.set_yticklabels([f"{tick:.1f}" for tick in cb_ticks], fontsize=12)
         cb.set_label("\n Free energy [kJ]", fontsize=14)
 
@@ -408,8 +406,13 @@ class Plot():
         :param limit: (Int) The upper limit on your energy scale
         """
 
-        self.path = xpm_data_list[0].path
-        limit = limit
+        if not isinstance(xpm_data_list, list):
+            xpm_data_list = [xpm_data_list]
+
+        if len(xpm_data_list) == 1:
+            self.path = xpm_data_list[0].path
+        else:
+            self.path = xpm_data_list[0].path
 
         Mat = []
 
@@ -440,38 +443,36 @@ class Plot():
         fig, axes = plt.subplots(1, len(Mat), figsize=(4 * len(Mat) + (len(Mat) - 1) * 1, 4), sharex=True, sharey=True)
         # fig, axes = plt.subplots(1,len(Mat), figsize=(4*len(Mat) + 1.5, 4), sharex=True, sharey=True)
 
-        color_bar = ['Blues_r'] * len(Mat)
-        color = self.colors
-        color.reverse()
-        cmap = ListedColormap(color)
-
         levels = np.linspace(0, limit, 9)  # 8 levels between 0 and limit
+        if len(Mat) > 1:
+            for n, ax in enumerate(axes):
+
+                self.set_axes(ax)
+                dx = ax.get_xlim()[1] - ax.get_xlim()[0]
+                dy = ax.get_ylim()[1] - ax.get_ylim()[0]
 
-        for n, ax in enumerate(axes):
-            ax.set_aspect('equal', adjustable='box')
-            ax.grid(True, ls='--', zorder=10.0)
+                ax.set_aspect(dx/dy, adjustable='box')
+                ax.grid(True, ls='--', zorder=10.0)
 
-            # Set x-axis ticks and labels
-            xmin, xmax = -180.0, 180.0
-            xticks = np.linspace(xmin, xmax, 7)
-            ax.set_xticks(np.linspace(0, 71, 7))
-            ax.set_xticklabels(['{0:d}'.format(int(x)) for x in xticks], fontsize=12)
-            ax.set_xlabel(r'$\phi$', fontsize=14)
+                # Create the contourf plot with consistent levels
+                plot = ax.contourf(Mat[n], levels=levels, colors=self.colors, zorder=1)
 
-            # Set y-axis ticks and labels
-            ymin, ymax = -180.0, 180.0
-            yticks = np.linspace(ymax, ymin, 7)[::-1]
-            ax.set_yticks(np.linspace(0, 71, 7))
-            ax.set_yticklabels(['{0:d}'.format(int(x)) for x in yticks], fontsize=12)
+                # Add a color bar with consistent boundaries and ticks
+                cb = fig.colorbar(plot, ax=ax, pad=0.025, aspect=20, ticks=levels, shrink=0.7)
+                cb.set_ticklabels(["{0:3.1f}".format(x) for x in levels])
+        else:
+            self.set_axes(axes)
+            dx = axes.get_xlim()[1] - axes.get_xlim()[0]
+            dy = axes.get_ylim()[1] - axes.get_ylim()[0]
 
-            if n == 0:
-                ax.set_ylabel(r'$\psi$', fontsize=14)
+            axes.set_aspect(dx / dy, adjustable='box')
+            axes.grid(True, ls='--', zorder=10.0)
 
             # Create the contourf plot with consistent levels
-            plot = ax.contourf(Mat[n], levels=levels, cmap=cmap, zorder=1)
+            plot = axes.contourf(Mat[0], levels=levels, colors=self.colors, zorder=1)
 
             # Add a color bar with consistent boundaries and ticks
-            cb = fig.colorbar(plot, ax=ax, pad=0.025, aspect=20, ticks=levels)
+            cb = fig.colorbar(plot, ax=axes, pad=0.025, aspect=20, ticks=levels, shrink=0.7)
             cb.set_ticklabels(["{0:3.1f}".format(x) for x in levels])
 
         fig.tight_layout()
@@ -750,4 +751,4 @@ class Plot():
         plt.ylabel(f"{quant} (Ha)")
         plt.xlabel('conformer id')
 
-        self.set_axes(ax)
+        self.set_axes(ax)

{matmalib-0.2.2 → matmalib-0.2.4}/matmalib.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: matmalib
-Version: 0.2.2
+Version: 0.2.4
 Summary: Add your description here
 Requires-Python: >=3.12
 Description-Content-Type: text/markdown

{matmalib-0.2.2 → matmalib-0.2.4}/pyproject.toml

@@ -1,12 +1,12 @@
 [project]
 name = "matmalib"
-version = "0.2.2"
+version = "0.2.4"
 description = "Add your description here"
 readme = "README.md"
 requires-python = ">=3.12"
 
 [tool.bumpversion]
-current_version = "0.2.2"
+current_version = "0.2.4"
 parse = "(?P<major>\\d+)\\.(?P<minor>\\d+)\\.(?P<patch>\\d+)"
 serialize = ["{major}.{minor}.{patch}"]
 search = "{current_version}"