feat: add arguments for walnuts

Author: aseyboldt

src/wrapper.rs

@@ -17,7 +17,7 @@ use arrow::array::Array;
 use numpy::{PyArray1, PyReadonlyArray1};
 use nuts_rs::{
     ChainProgress, DiagGradNutsSettings, LowRankNutsSettings, ProgressCallback, Sampler,
-    SamplerWaitResult, Trace, TransformedNutsSettings,
+    SamplerWaitResult, Trace, TransformedNutsSettings, WalnutsOptions,
 };
 use pyo3::{
     exceptions::PyTimeoutError,
@@ -654,6 +654,134 @@ impl PyNutsSettings {
         }
         Ok(())
     }
+
+    #[getter]
+    fn max_step_size_halvings(&self) -> Result<Option<u64>> {
+        let walnuts = match &self.inner {
+            Settings::LowRank(inner) => inner.walnuts_options,
+            Settings::Diag(inner) => inner.walnuts_options,
+            Settings::Transforming(inner) => inner.walnuts_options,
+        };
+        if let Some(walnuts) = walnuts {
+            Ok(Some(walnuts.max_step_size_halvings))
+        } else {
+            Ok(None)
+        }
+    }
+
+    #[setter(max_step_size_halvings)]
+    fn set_max_step_size_halvings(&mut self, val: Option<u64>) -> Result<()> {
+        let options = match &mut self.inner {
+            Settings::LowRank(inner) => &mut inner.walnuts_options,
+            Settings::Diag(inner) => &mut inner.walnuts_options,
+            Settings::Transforming(inner) => &mut inner.walnuts_options,
+        };
+
+        if let Some(max_halvings) = val {
+            if let Some(ref mut options) = options {
+                options.max_step_size_halvings = max_halvings;
+            } else {
+                let mut new_options = WalnutsOptions::default();
+                new_options.max_step_size_halvings = max_halvings;
+                *options = Some(new_options);
+            }
+        } else {
+            *options = None;
+        }
+
+        Ok(())
+    }
+
+    #[getter]
+    fn max_walnuts_energy_error(&self) -> Result<Option<f64>> {
+        let walnuts = match &self.inner {
+            Settings::LowRank(inner) => inner.walnuts_options,
+            Settings::Diag(inner) => inner.walnuts_options,
+            Settings::Transforming(inner) => inner.walnuts_options,
+        };
+        if let Some(walnuts) = walnuts {
+            Ok(Some(walnuts.max_energy_error))
+        } else {
+            Ok(None)
+        }
+    }
+
+    #[setter(max_walnuts_energy_error)]
+    fn set_max_walnuts_energy_error(&mut self, val: Option<f64>) -> Result<()> {
+        let options = match &mut self.inner {
+            Settings::LowRank(inner) => &mut inner.walnuts_options,
+            Settings::Diag(inner) => &mut inner.walnuts_options,
+            Settings::Transforming(inner) => &mut inner.walnuts_options,
+        };
+
+        if let Some(max_error) = val {
+            if let Some(ref mut options) = options {
+                options.max_energy_error = max_error;
+            } else {
+                let mut new_options = WalnutsOptions::default();
+                new_options.max_energy_error = max_error;
+                *options = Some(new_options);
+            }
+        } else {
+            *options = None;
+        }
+
+        Ok(())
+    }
+
+    #[getter]
+    fn fixed_step_size(&self) -> Result<Option<f64>> {
+        match &self.inner {
+            Settings::LowRank(inner) => {
+                Ok(inner.adapt_options.dual_average_options.fixed_step_size)
+            }
+            Settings::Diag(inner) => Ok(inner.adapt_options.dual_average_options.fixed_step_size),
+            Settings::Transforming(inner) => {
+                Ok(inner.adapt_options.dual_average_options.fixed_step_size)
+            }
+        }
+    }
+
+    #[setter(fixed_step_size)]
+    fn set_fixed_step_size(&mut self, val: Option<f64>) -> Result<()> {
+        match &mut self.inner {
+            Settings::LowRank(inner) => {
+                inner.adapt_options.dual_average_options.fixed_step_size = val;
+            }
+            Settings::Diag(inner) => {
+                inner.adapt_options.dual_average_options.fixed_step_size = val;
+            }
+            Settings::Transforming(inner) => {
+                inner.adapt_options.dual_average_options.fixed_step_size = val;
+            }
+        }
+        Ok(())
+    }
+
+    #[getter]
+    fn step_size_jitter(&self) -> Result<Option<f64>> {
+        match &self.inner {
+            Settings::LowRank(inner) => Ok(inner.adapt_options.dual_average_options.jitter),
+            Settings::Diag(inner) => Ok(inner.adapt_options.dual_average_options.jitter),
+            Settings::Transforming(inner) => Ok(inner.adapt_options.dual_average_options.jitter),
+        }
+    }
+
+    #[setter(step_size_jitter)]
+    fn set_step_size_jitter(&mut self, val: Option<f64>) -> Result<()> {
+        match &mut self.inner {
+            Settings::LowRank(inner) => {
+                inner.adapt_options.dual_average_options.jitter = val;
+            }
+            Settings::Diag(inner) => {
+                inner.adapt_options.dual_average_options.jitter = val;
+            }
+            Settings::Transforming(inner) => {
+                inner.adapt_options.dual_average_options.jitter = val;
+            }
+        }
+        Ok(())
+    }
 }
 
 pub(crate) enum SamplerState {