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#210 Improve the 1D plots

0.3.4
done
nobody
None
nobody
2022-01-04
2021-05-28
Ulf Lorenz
No
What and Why

In [#165], the 1D plots have been introduced in a rather coarse manner, the main focus was on the whole infrastructure and having some showable. This should be rectified here.

Note that this issue requires [#209] to be able to setup regression tests.

Particular areas of improvement:

  • plot the phase together with the wave function. Or at least positive / negative values for real-valued eigenstates.
  • enable plotting of density operators
  • maybe a bit more error handling
  • testing, at least the non-plotting part
  • Allow plotting of different electronic states. This includes the potential
  • Make the whole plot look a bit more professional. In particular, the energy / time should be printed with a fixed number of decimal places.
  • Make this plotting possibility more visible in the documentation. Currently, the obsolete Gnuplot-style plotting is more prominent than the Python-style plotting.

Most of the work was actually refactoring because the code became reasonably complex pretty quickly. Some testing has been added where reasonable.

One rather expensive item has been outsourced to a separate issue [#220].

Related

Tickets: #165
Tickets: #209
Tickets: #220

Discussion

  • Ulf Lorenz

    Ulf Lorenz - 2021-05-28
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -3,5 +3,8 @@
 In [#165], the 1D plots have been introduced in a rather coarse manner, the main focus was on the whole infrastructure and having some showable. This should be rectified here. Particular areas of improvement:

 * plot the phase together with the wave function. Or at least positive / negative values for real-valued eigenstates.
+* enable plotting of density operators
+* maybe a bit more error handling
+* testing, at least the non-plotting part
 * Allow plotting of different electronic states. This includes the potential
 * Make the whole plot look a bit more professional. In particular, the energy / time should be printed with a fixed number of decimal places.
     

    Related

    Tickets: #165

  • Ulf Lorenz

    Ulf Lorenz - 2021-08-08
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -8,3 +8,4 @@
 * testing, at least the non-plotting part
 * Allow plotting of different electronic states. This includes the potential
 * Make the whole plot look a bit more professional. In particular, the energy / time should be printed with a fixed number of decimal places.
+* Make this plotting possibility more visible in the documentation. Currently, the obsolete Gnuplot-style plotting is more prominent than the Python-style plotting.
     

  • Ulf Lorenz

    Ulf Lorenz - 2021-08-08
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -8,4 +8,5 @@
 * testing, at least the non-plotting part
 * Allow plotting of different electronic states. This includes the potential
 * Make the whole plot look a bit more professional. In particular, the energy / time should be printed with a fixed number of decimal places.
+* Allow persistence of the plots, and use it in at least the DoubleWell demo to also show something.
 * Make this plotting possibility more visible in the documentation. Currently, the obsolete Gnuplot-style plotting is more prominent than the Python-style plotting.
     

  • Ulf Lorenz

    Ulf Lorenz - 2021-08-08
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -8,5 +8,4 @@
 * testing, at least the non-plotting part
 * Allow plotting of different electronic states. This includes the potential
 * Make the whole plot look a bit more professional. In particular, the energy / time should be printed with a fixed number of decimal places.
-* Allow persistence of the plots, and use it in at least the DoubleWell demo to also show something.
 * Make this plotting possibility more visible in the documentation. Currently, the obsolete Gnuplot-style plotting is more prominent than the Python-style plotting.
     

  • Ulf Lorenz

    Ulf Lorenz - 2021-08-08
    • Milestone: 0.4 goal --> 0.3.4
     

  • Ulf Lorenz

    Ulf Lorenz - 2021-08-15
    • status: open --> assigned
    • assigned_to: Ulf Lorenz
     

  • Ulf Lorenz

    Ulf Lorenz - 2021-08-23
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -1,6 +1,10 @@
 #####What and Why#####

-In [#165], the 1D plots have been introduced in a rather coarse manner, the main focus was on the whole infrastructure and having some showable. This should be rectified here. Particular areas of improvement:
+In [#165], the 1D plots have been introduced in a rather coarse manner, the main focus was on the whole infrastructure and having some showable. This should be rectified here. 
+
+Note that this issue requires [#209] to be able to setup regression tests.
+
+Particular areas of improvement:

 * plot the phase together with the wave function. Or at least positive / negative values for real-valued eigenstates.
 * enable plotting of density operators
    • status: assigned --> open
    • assigned_to: Ulf Lorenz --> nobody
     

    Related

    Tickets: #165
    Tickets: #209

  • Ulf Lorenz

    Ulf Lorenz - 2021-12-29
    • status: open --> assigned
    • assigned_to: Ulf Lorenz
     

  • Ulf Lorenz

    Ulf Lorenz - 2022-01-04
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -13,3 +13,9 @@
 * Allow plotting of different electronic states. This includes the potential
 * Make the whole plot look a bit more professional. In particular, the energy / time should be printed with a fixed number of decimal places.
 * Make this plotting possibility more visible in the documentation. Currently, the obsolete Gnuplot-style plotting is more prominent than the Python-style plotting.
+
+----
+
+Most of the work was actually refactoring because the code became reasonably complex pretty quickly. Some testing has been added where reasonable.
+
+One rather expensive item has been outsourced to a separate issue [#220].
     

    Related

    Tickets: #220

  • Ulf Lorenz

    Ulf Lorenz - 2022-01-04
    • status: assigned --> done
    • assigned_to: Ulf Lorenz --> nobody
     

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