From f2d6c5d9ffa04b27733987eb2e3124517579cbad Mon Sep 17 00:00:00 2001
From: roelof-groenewald <40245517+roelof-groenewald@users.noreply.github.com>
Date: Mon, 7 Jun 2021 16:45:05 -0700
Subject: Call function ReadBCParams() during python execution (#1972)

* added ReadBCParams() function call to python execution and added a test of the electrostatic solver executing from python

* added separate specification of particle boundary conditions in picmi setup and adjusted the inputs for existing tests to follow the new practice

* updated input for rz PICMI test and renamed the electrostatic test to follow standard practice

* added arguments for particle boundary conditions to Langmuir RZ test

* added dictionary to picmi.py to map from picmistandard field boundary condition specifications to that of WarpX

* fixes for failing unit tests; added key, pair 'none' to picmi dictionary of field BCs

* also using 'none' for upper boundary condition for RZ test Python_Langmuir_rz_multimode
---
 Python/pywarpx/picmi.py | 30 +++++++++++++++++++++++++++---
 1 file changed, 27 insertions(+), 3 deletions(-)

(limited to 'Python/pywarpx/picmi.py')

diff --git a/Python/pywarpx/picmi.py b/Python/pywarpx/picmi.py
index 61f1b6c88..7b67656ca 100644
--- a/Python/pywarpx/picmi.py
+++ b/Python/pywarpx/picmi.py
@@ -17,6 +17,11 @@ import periodictable
 codename = 'warpx'
 picmistandard.register_codename(codename)
 
+# dictionary to map field boundary conditions from picmistandard to WarpX
+BC_map = {
+    'open':'pml', 'dirichlet':'pec', 'periodic':'periodic', 'none':'none'
+}
+
 class constants:
     # --- Put the constants in their own namespace
     # --- Values from WarpXConst.H
@@ -375,11 +380,16 @@ class CylindricalGrid(picmistandard.PICMI_CylindricalGrid):
 
         # Geometry
         pywarpx.geometry.coord_sys = 1  # RZ
-        pywarpx.geometry.is_periodic = '0 %d'%(self.bc_zmin=='periodic')  # Is periodic?
         pywarpx.geometry.prob_lo = self.lower_bound  # physical domain
         pywarpx.geometry.prob_hi = self.upper_bound
         pywarpx.warpx.n_rz_azimuthal_modes = self.n_azimuthal_modes
 
+        # Boundary conditions
+        pywarpx.boundary.field_lo = [BC_map[bc] for bc in [self.bc_rmin, self.bc_zmin]]
+        pywarpx.boundary.field_hi = [BC_map[bc] for bc in [self.bc_rmax, self.bc_zmax]]
+        pywarpx.boundary.particle_lo = [self.bc_rmin_particles, self.bc_zmin_particles]
+        pywarpx.boundary.particle_hi = [self.bc_rmax_particles, self.bc_zmax_particles]
+
         if self.moving_window_zvelocity is not None:
             if np.isscalar(self.moving_window_zvelocity):
                 if self.moving_window_zvelocity !=0:
@@ -422,10 +432,15 @@ class Cartesian2DGrid(picmistandard.PICMI_Cartesian2DGrid):
 
         # Geometry
         pywarpx.geometry.coord_sys = 0  # Cartesian
-        pywarpx.geometry.is_periodic = '%d %d'%(self.bc_xmin=='periodic', self.bc_ymin=='periodic')  # Is periodic?
         pywarpx.geometry.prob_lo = self.lower_bound  # physical domain
         pywarpx.geometry.prob_hi = self.upper_bound
 
+        # Boundary conditions
+        pywarpx.boundary.field_lo = [BC_map[bc] for bc in [self.bc_xmin, self.bc_ymin]]
+        pywarpx.boundary.field_hi = [BC_map[bc] for bc in [self.bc_xmax, self.bc_ymax]]
+        pywarpx.boundary.particle_lo = [self.bc_xmin_particles, self.bc_ymin_particles]
+        pywarpx.boundary.particle_hi = [self.bc_xmax_particles, self.bc_ymax_particles]
+
         if self.moving_window_velocity is not None and np.any(np.not_equal(self.moving_window_velocity, 0.)):
             pywarpx.warpx.do_moving_window = 1
             if self.moving_window_velocity[0] != 0.:
@@ -468,10 +483,19 @@ class Cartesian3DGrid(picmistandard.PICMI_Cartesian3DGrid):
 
         # Geometry
         pywarpx.geometry.coord_sys = 0  # Cartesian
-        pywarpx.geometry.is_periodic = '%d %d %d'%(self.bc_xmin=='periodic', self.bc_ymin=='periodic', self.bc_zmin=='periodic')  # Is periodic?
         pywarpx.geometry.prob_lo = self.lower_bound  # physical domain
         pywarpx.geometry.prob_hi = self.upper_bound
 
+        # Boundary conditions
+        pywarpx.boundary.field_lo = [BC_map[bc] for bc in [self.bc_xmin, self.bc_ymin, self.bc_zmin]]
+        pywarpx.boundary.field_hi = [BC_map[bc] for bc in [self.bc_xmax, self.bc_ymax, self.bc_zmax]]
+        pywarpx.boundary.particle_lo = [
+            self.bc_xmin_particles, self.bc_ymin_particles, self.bc_zmin_particles
+        ]
+        pywarpx.boundary.particle_hi = [
+            self.bc_xmax_particles, self.bc_ymax_particles, self.bc_zmax_particles
+        ]
+
         if self.moving_window_velocity is not None and np.any(np.not_equal(self.moving_window_velocity, 0.)):
             pywarpx.warpx.do_moving_window = 1
             if self.moving_window_velocity[0] != 0.:
-- 
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