Merge pull request #9 from RIMS-Code/more_autoformatting

Formatting adjustments

requirements-dev.lock

@@ -8,13 +8,11 @@
 #   with-sources: false
 
 -e file:.
-    # via file:///-
 attrs==23.2.0
     # via hypothesis
 contourpy==1.2.0
     # via matplotlib
 coverage==7.4.1
-    # via coverage
     # via pytest-cov
 cycler==0.12.1
     # via matplotlib

requirements.lock

@@ -8,7 +8,6 @@
 #   with-sources: false
 
 -e file:.
-    # via file:///-
 contourpy==1.2.0
     # via matplotlib
 cycler==0.12.1

src/rimsschemedrawer/gui.py

@@ -358,10 +358,10 @@ def init_ui(self):
             "ticks."
         )
         self.edt_sett_headspace.setToolTip(
-            "Set how much space is added on top of the"
-            "IP level: the head space. Adjust this"
-            "value whenever there is not enough space"
-            "on top to fit all the text in. The value"
+            "Set how much space is added on top of the "
+            "IP level: the head space. Adjust this "
+            "value whenever there is not enough space "
+            "on top to fit all the text in. The value "
             "is given in cm<sup>-1</sup>."
         )
         layout.addWidget(self.edt_sett_arrwidth, 7, 7, 1, 1)

src/rimsschemedrawer/plotter.py

@@ -42,7 +42,7 @@ def __init__(self, data: dict, **kwargs):
             self.coluv = "#8c96df"
             self.colfuv = "#9365b2"
             self.colpump = "#60a55b"
-            self.colhdr = "#343f74"  # header color
+            self.colhdr = "#4b5482"  # header color
         else:
             self.colmain = "#000000"
             self.colir = "#a00000"
@@ -170,19 +170,10 @@ def _plotit(self):
             size=fsz_labels,
         )
 
-        # Draw the horizontal lines for every transition below IP and for IP
-        for it in transition_steps:
+        # Draw the horizontal lines for every transition except last and for IP
+        for it in transition_steps[:-1]:
             if it < ipvalue:
                 self._axes.hlines(it, xmin=0, xmax=10, color=self.colmain)
-        # Lines for manifold ground states
-        for it in range(np.sum(self.config_parser.is_low_lying)):
-            self._axes.hlines(
-                mfld_yinc * ipvalue * (1 + it),
-                xmin=1.5 * it + 2.3,
-                xmax=1.5 * it + 3.7,
-                linestyle="solid",
-                color=self.colmain,
-            )
 
         # draw the state we come out of, if not ground state
         if wavenumber_gs > 0.0:
@@ -253,7 +244,7 @@ def _plotit(self):
                         markeredgewidth=5.0,
                     )
 
-            # draw a little dashed line for the last/end state
+            # draw a little solid line for the last/end state
             if it == len(lambda_steps) - 1:
                 self._axes.hlines(
                     tstp,
@@ -332,6 +323,22 @@ def _plotit(self):
             yval_bott = transition_steps[it]
 
         # now go through low-lying excited states
+        x_spacing_es = (
+            1.5
+            if np.sum(transition_strengths_es) == 0 or not show_trans_strength
+            else 2.0
+        )
+
+        # Lines for manifold ground states
+        for it in range(np.sum(self.config_parser.is_low_lying)):
+            self._axes.hlines(
+                mfld_yinc * ipvalue * (1 + it),
+                xmin=x_spacing_es * it + 2.3,
+                xmax=x_spacing_es * it + 3.7,
+                linestyle="solid",
+                color=self.colmain,
+            )
+
         for it in range(len(wavenumber_es)):
             if lambda_step_es[it] >= 700:
                 col = self.colir
@@ -342,8 +349,8 @@ def _plotit(self):
             else:
                 col = self.colfuv
 
-            # values
-            xval = firstarrowxmfl + 1.5 + it * 1.5
+            # values for spacing and distance
+            xval = firstarrowxmfl + x_spacing_es + it * x_spacing_es
             yval = mfld_yinc * ipvalue * (1 + it)
             wstp = float(wavenumber_steps[0]) - yval
 

src/rimsschemedrawer/utils.py

@@ -13,16 +13,16 @@
         "fs_title": 14,
         "fs_axes": 12,
         "fs_axes_labels": 12,
-        "fs_labels": 14,
-        "headspace": 2000,
+        "fs_labels": 12,
+        "headspace": 3000,
         "arrow_width": 0.2,
         "arrow_head_width": 0.6,
         "prec_wavelength": 3,
         "prec_level": 0,
         "line_breaks": False,
-        "ip_label_pos": "Top",
+        "ip_label_pos": "Bottom",
         "show_forbidden_transitions": "x-out",
-        "show_transition_strength": False,
+        "show_transition_strength": True,
         "show_cm-1_axis": True,
         "show_eV_axis": True,
         "plot_darkmode": False,