Reduced diagnostics: charge on the embedded boundary (#3648)

* Prepare structure to compute charge inside boundary

* Add calculation without embedded boundaries

* Use EB area fraction

* Skip cells that are not cut-cells

* Choose point outside of the EB

* Skip covered or regular boxes

* Only compile with EB and 3D support

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Add test for charge on EB

* Add automated test

* Add automated Python test

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Avoid compilation error

* Enable PICMI test

* Rename ChargeInsideBoundary to ChargeOnEB

* Update comments

* Add parser for weighting

* Call weighting function

* Call weighting function

* Add documentation

* Update Python test

* Add Python test

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Fix compilation errors

* Fix access of attribute on GPU

* Use difference in surface area

* Pick smaller radius in test

This is in order to avoid the influence of the boundaries

* Update benchmark

* Update benchmark

* Properly add diagnostic

* Update radius in analysis

* Update analysis script

* Relax tolerance

* Fix tests

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update Python tests

* Apply suggestions from code review

Co-authored-by: Edoardo Zoni <59625522+EZoni@users.noreply.github.com>

* Test one-eighth from Python

* Add one-eighth charge in tests

* Handle ChargeOnEB

* Remove bug when handling charge on eb

* Fix Python errors

* Fix Python issues

* Use more natural setting of tilebox

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Edoardo Zoni <59625522+EZoni@users.noreply.github.com>

1 files changed, 20 insertions, 2 deletions

diff --git a/Python/pywarpx/picmi.py b/Python/pywarpx/picmi.py
index 6a19de3f5..45dfaa3dd 100644
--- a/Python/pywarpx/picmi.py
+++ b/Python/pywarpx/picmi.py
@@ -2099,6 +2099,9 @@ class ReducedDiagnostic(picmistandard.base._ClassWithInit, WarpXDiagnosticBase):
     reduced_function: string
         For diagnostic type 'FieldReduction', the function of the fields to evaluate
 
+    weighting_function: string, optional
+        For diagnostic type 'ChargeOnEB', the function to weight contributions to the total charge
+
     reduction_type: {'Maximum', 'Minimum', or 'Integral'}
         For diagnostic type 'FieldReduction', the type of reduction
 
@@ -2153,11 +2156,11 @@ class ReducedDiagnostic(picmistandard.base._ClassWithInit, WarpXDiagnosticBase):
         self._simple_reduced_diagnostics = [
             'ParticleEnergy', 'ParticleMomentum', 'FieldEnergy',
             'FieldMomentum', 'FieldMaximum', 'RhoMaximum', 'ParticleNumber',
-            'LoadBalanceCosts', 'LoadBalanceEfficiency',
+            'LoadBalanceCosts', 'LoadBalanceEfficiency'
         ]
         # The species diagnostics require a species to be provided
         self._species_reduced_diagnostics = [
-            'BeamRelevant', 'ParticleHistogram', 'ParticleExtrema',
+            'BeamRelevant', 'ParticleHistogram', 'ParticleExtrema'
         ]
 
         if self.type in self._simple_reduced_diagnostics:
@@ -2171,6 +2174,8 @@ class ReducedDiagnostic(picmistandard.base._ClassWithInit, WarpXDiagnosticBase):
             kw = self._handle_field_probe(**kw)
         elif self.type == "FieldReduction":
             kw = self._handle_field_reduction(**kw)
+        elif self.type == "ChargeOnEB":
+            kw = self._handle_charge_on_eb(**kw)
         else:
             raise RuntimeError(
                 f"{self.type} reduced diagnostic is not yet supported "
@@ -2249,6 +2254,19 @@ class ReducedDiagnostic(picmistandard.base._ClassWithInit, WarpXDiagnosticBase):
 
         return kw
 
+    def _handle_charge_on_eb(self, **kw):
+        weighting_function = kw.pop("weighting_function", None)
+
+        self.__setattr__("weighting_function(x,y,z)", weighting_function)
+
+        # Check the reduced function expression for constants
+        for k in list(kw.keys()):
+            if re.search(r'\b%s\b'%k, weighting_function):
+                self.user_defined_kw[k] = kw[k]
+                del kw[k]
+
+        return kw
+
     def initialize_inputs(self):
 
         self.add_diagnostic()