From ffc4dea698768e330a61007acb62904a3fc79444 Mon Sep 17 00:00:00 2001
From: Nathan Baker <nathanandrewbaker@gmail.com>
Date: Tue, 15 Jun 2021 14:41:49 -0700
Subject: [PATCH] Add temperature to finite_difference.

---
 .../input_file/calculate/finite_difference.py | 20 ++++++++++++++++++-
 docs/using/input/old/generic/temp.rst         |  7 ++++---
 2 files changed, 23 insertions(+), 4 deletions(-)

diff --git a/apbs/input_file/calculate/finite_difference.py b/apbs/input_file/calculate/finite_difference.py
index 8250d7c..97f0808 100644
--- a/apbs/input_file/calculate/finite_difference.py
+++ b/apbs/input_file/calculate/finite_difference.py
@@ -716,6 +716,7 @@ class FiniteDifference(InputFile):
     * ``solvent radius``:  see :func:`solvent_radius`
     * ``surface method``:  see :func:`surface_method`
     * ``surface spline window``:  see :func:`surface_spline_window`
+    * ``temperature``:  see :func:`temperature`
 
     .. todo:: finish this
     """
@@ -736,11 +737,28 @@ class FiniteDifference(InputFile):
         self._solvent_radius = None
         self._surface_method = None
         self._surface_spline_window = None
+        self._temperature = None
         super().__init__(dict_=dict_, yaml=yaml, json=json)
 
+    @property
+    def temperature(self) -> float:
+        """Temperature for the calculation in Kelvin.
+
+        :raises ValueError:  if not a positive number (no violations of the
+            3rd Law!)
+        """
+        return self._temperature
+
+    @temperature.setter
+    def temperature(self, value):
+        if check.is_positive_definite(value):
+            self._temperature = value
+        else:
+            raise ValueError(f"{value} is not a positive number.")
+
     @property
     def surface_spline_window(self) -> float:
-        """Window for spline-based surface definitions.
+        """Window for spline-based surface definitions (not needed otherwise).
 
         This is the distance (in Å) over which the spline transitions from the
         solvent dielectric value to the solute dielectric value.  A typical
diff --git a/docs/using/input/old/generic/temp.rst b/docs/using/input/old/generic/temp.rst
index 24d8d8e..16700eb 100644
--- a/docs/using/input/old/generic/temp.rst
+++ b/docs/using/input/old/generic/temp.rst
@@ -7,11 +7,12 @@ temp
 
    Some versions of this command have been ported to the *new APBS syntax* (see :ref:`new_input_format`):
 
+   .. currentmodule:: apbs.input_file.calculate
 
-   * Nonpolar calculations:
-      .. currentmodule:: apbs.input_file.calculate.nonpolar
+   * Finite difference calculations: See :func:`finite_difference.FiniteDifference.temperature`.
+   * Nonpolar calculations: See :func:`nonpolar.Nonpolar.temperature`.
 
-      See :func:`Nonpolar.temperature` for more information.
+   .. todo:: add other uses to new syntax
 
 This keyword specifies the temperature for the calculation.
 The syntax is: