libcasm-mapping 2.2.0__tar.gz → 2.3.0__tar.gz

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/CHANGELOG.md

@@ -5,14 +5,32 @@ All notable changes to `libcasm-mapping` will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
-## [2.2.0] - 2025-08-14
+## [2.3.0] - 2025-08-07
+
+### Added
+
+- Added `CASM::mapping::DispOnlyAtomToSiteCostFunction`, which has the same definition of `CASM::mapping::AtomToSiteCostFunction` previous to this release.
+- Added `libcasm.mapping.mapsearch.make_atom_to_site_cost_future`. This method makes the cost infinity for displacements that are on the boundary of the Voronio cell. This addresses an issue where the choice of displacement vector for atoms on the parent superlattice voronoi cell boundary was ambiguous and in practice sensitive to small numerical differences, leading to inconsistent mapping results. With the change, atom mappings with displacements on the Voronoi cell boundary will not be selected, and larger supercells will be necessary to find atom mappings with those assignments.
+- Added an `atom_to_site_cost_future_f` argument for the `MapSearch` and `AtomMappingSearchData` constructors to allow use of `make_atom_to_site_cost_future` instead of `make_atom_to_site_cost`.
+
+### Changed
+
+- Changed `CASM::mapping::AtomToSiteCostFunction` to take the Lattice used to find displacements under periodic boundary conditions.
+
+### Deprecated
+
+- The `make_atom_to_site_cost_future` and `make_atom_to_site_cost` methods are marked deprecated because `make_atom_to_site_cost_future` is planned to replace `make_atom_to_site_cost` in libcasm-mapping 3.0.0.
+- The `atom_to_site_cost_f` and `atom_to_site_cost_future_f` arguments for the `MapSearch` and `AtomMappingSearchData` constructors are marked deprecated because `atom_to_site_cost_future_f` is planned to replace `atom_to_site_cost_f`  in libcasm-mapping 3.0.0.
+
+
+## [2.2.0] - 2025-07-14
 
 ### Changed
 
 - Set pybind11~=3.0
 
 
-## [2.1.0] - 2025-08-07
+## [2.1.0] - 2025-07-07
 
 ### Changed
 

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/CMakeLists.txt

@@ -1,7 +1,7 @@
 cmake_minimum_required(VERSION 3.20)
 set(CMAKE_OSX_DEPLOYMENT_TARGET "10.15" CACHE STRING "Minimum OS X deployment version")
 
-project(CASMcode_mapping VERSION 2.2.0 LANGUAGES CXX)
+project(CASMcode_mapping VERSION 2.3.0 LANGUAGES CXX)
 
 # set CMAKE_INSTALL_X variables
 include(GNUInstallDirs)

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/CMakeLists.txt.in

@@ -1,7 +1,7 @@
 cmake_minimum_required(VERSION 3.20)
 set(CMAKE_OSX_DEPLOYMENT_TARGET "10.15" CACHE STRING "Minimum OS X deployment version")
 
-project(CASMcode_mapping VERSION 2.2.0 LANGUAGES CXX)
+project(CASMcode_mapping VERSION 2.3.0 LANGUAGES CXX)
 
 # set CMAKE_INSTALL_X variables
 include(GNUInstallDirs)

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: libcasm-mapping
-Version: 2.2.0
+Version: 2.3.0
 Summary: CASM structure mapping
 Author-email: CASM developers <casm-developers@lists.engr.ucsb.edu>
 License-Expression: LGPL-2.1-or-later

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/doc/doxygen_config

@@ -38,7 +38,7 @@ PROJECT_NAME           = "CASM_mapping"
 # could be handy for archiving the generated documentation or if some version
 # control system is used.
 
-PROJECT_NUMBER         = 2.2.0
+PROJECT_NUMBER         = 2.3.0
 
 # Using the PROJECT_BRIEF tag one can provide an optional one line description
 # for a project that appears at the top of each page and should give viewer a

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/include/casm/mapping/MappingSearch.hh

@@ -154,13 +154,14 @@ MappingNode make_mapping_node(
 /// \brief Performs structure mapping searches
 struct MappingSearch {
   /// \brief Constructor
-  MappingSearch(
-      double _min_cost = 0.0, double _max_cost = 1e20, int _k_best = 1,
-      AtomCostFunction _atom_cost_f = IsotropicAtomCost(),
-      TotalCostFunction _total_cost_f = WeightedTotalCost(0.5),
-      AtomToSiteCostFunction _atom_to_site_cost_f = make_atom_to_site_cost,
-      bool _enable_remove_mean_displacement = true, double _infinity = 1e20,
-      double _cost_tol = 1e-5);
+  MappingSearch(double _min_cost = 0.0, double _max_cost = 1e20,
+                int _k_best = 1,
+                AtomCostFunction _atom_cost_f = IsotropicAtomCost(),
+                TotalCostFunction _total_cost_f = WeightedTotalCost(0.5),
+                AtomToSiteCostFunction _atom_to_site_cost_f =
+                    make_atom_to_site_cost_future,
+                bool _enable_remove_mean_displacement = true,
+                double _infinity = 1e20, double _cost_tol = 1e-5);
 
   /// \brief A queue of structure mappings, sorted by total
   ///     cost only

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/include/casm/mapping/SearchData.hh

@@ -205,9 +205,22 @@ std::vector<Eigen::Vector3d> make_trial_translations(
 
 /// \brief A function, such as `make_atom_to_site_cost`,
 ///     which calculates the atom-to-site mapping cost given the
-///     site-to-atom displacement, atom_type, allowed_atom_types,
+///     lattice in which the displacements are calculated under
+///     periodic boundary conditions, the site-to-atom
+///     displacement, atom_type, allowed_atom_types,
 ///     and value to use for unallowed mappings (infinity).
 using AtomToSiteCostFunction = std::function<double(
+    xtal::Lattice const &lattice, Eigen::Vector3d const &displacement,
+    std::string const &atom_type,
+    std::vector<std::string> const &allowed_atom_types, double infinity)>;
+
+/// \brief A function, such as `make_atom_to_site_cost`,
+///     which calculates the atom-to-site mapping cost given the
+///     lattice in which the displacements are calculated under
+///     periodic boundary conditions, the site-to-atom
+///     displacement, atom_type, allowed_atom_types,
+///     and value to use for unallowed mappings (infinity).
+using DispOnlyAtomToSiteCostFunction = std::function<double(
     Eigen::Vector3d const &displacement, std::string const &atom_type,
     std::vector<std::string> const &allowed_atom_types, double infinity)>;
 
@@ -217,6 +230,13 @@ double make_atom_to_site_cost(
     Eigen::Vector3d const &displacement, std::string const &atom_type,
     std::vector<std::string> const &allowed_atom_types, double infinity);
 
+/// \brief Make the mapping cost for a particular atom
+///     to a particular structure site
+double make_atom_to_site_cost_future(
+    xtal::Lattice const &lattice, Eigen::Vector3d const &displacement,
+    std::string const &atom_type,
+    std::vector<std::string> const &allowed_atom_types, double infinity);
+
 /// \brief Holds data shared amongst all potential atom-to-site
 ///     assignment problems making use of the same trial
 ///     translation
@@ -225,7 +245,8 @@ struct AtomMappingSearchData {
   AtomMappingSearchData(
       std::shared_ptr<LatticeMappingSearchData const> _lattice_mapping_data,
       Eigen::Vector3d const &_trial_translation_cart,
-      AtomToSiteCostFunction _atom_to_site_cost_f = make_atom_to_site_cost,
+      AtomToSiteCostFunction _atom_to_site_cost_f =
+          make_atom_to_site_cost_future,
       double _infinity = 1e20);
 
   /// \brief Holds lattice mapping-specific data used

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/include/casm/mapping/murty.hh

@@ -80,6 +80,11 @@ struct Node {
 
   /// \brief Compare by cost only
   bool operator<(Node const &rhs) const { return this->cost < rhs.cost; }
+
+  /// \brief Return true if assignment was made
+  bool all_col_assigned() const {  // check if sub_assignment succeeded:
+    return sub_assignment.size() == unassigned_cols.size();
+  }
 };
 
 /// \brief Returns a Node representing the (constrained) assignment problem

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/pyproject.toml

@@ -13,7 +13,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "libcasm-mapping"
-version = "2.2.0"
+version = "2.3.0"
 authors = [
   { name="CASM developers", email="casm-developers@lists.engr.ucsb.edu" },
 ]

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/python/doc/conf.py

@@ -2,8 +2,8 @@ import os
 
 # -- package specific configuration --
 project = "libcasm-mapping"
-version = "2.2"  # The short X.Y version.
-release = "2.2.0"  # The full version, including alpha/beta/rc tags.
+version = "2.3"  # The short X.Y version.
+release = "2.3.0"  # The full version, including alpha/beta/rc tags.
 project_desc = "CASM structure mapping"
 logo_text = "libcasm-mapping"
 github_url = "https://github.com/prisms-center/CASMcode_mapping/"

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/python/libcasm/mapping/mapsearch/__init__.py

@@ -12,6 +12,7 @@ from ._mapping_mapsearch import (
     SymmetryBreakingAtomCost,
     WeightedTotalCost,
     make_atom_to_site_cost,
+    make_atom_to_site_cost_future,
     make_superstructure_data,
     make_trial_translations,
 )

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/python/libcasm_mapping.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: libcasm-mapping
-Version: 2.2.0
+Version: 2.3.0
 Summary: CASM structure mapping
 Author-email: CASM developers <casm-developers@lists.engr.ucsb.edu>
 License-Expression: LGPL-2.1-or-later

{libcasm_mapping-2.2.0 → libcasm_mapping-2.3.0}/python/src/mapping_mapsearch.cpp

@@ -30,33 +30,64 @@ MappingSearch make_MappingSearch(
     double _min_cost, double _max_cost, int _k_best,
     std::optional<AtomCostFunction> _atom_cost_f,
     std::optional<TotalCostFunction> _total_cost_f,
-    std::optional<AtomToSiteCostFunction> _atom_to_site_cost_f,
-    bool _enable_remove_mean_displacement, double _infinity, double _cost_tol) {
+    std::optional<DispOnlyAtomToSiteCostFunction> _atom_to_site_cost_f,
+    bool _enable_remove_mean_displacement, double _infinity, double _cost_tol,
+    std::optional<AtomToSiteCostFunction> _atom_to_site_cost_future_f) {
   if (!_atom_cost_f) {
     _atom_cost_f = IsotropicAtomCost();
   }
   if (!_total_cost_f) {
     _total_cost_f = WeightedTotalCost(0.5);
   }
-  if (!_atom_to_site_cost_f) {
-    _atom_to_site_cost_f = AtomToSiteCostFunction(make_atom_to_site_cost);
+  AtomToSiteCostFunction f;
+  if (_atom_to_site_cost_future_f) {
+    f = _atom_to_site_cost_future_f.value();
+  } else {
+    if (!_atom_to_site_cost_f) {
+      _atom_to_site_cost_f =
+          DispOnlyAtomToSiteCostFunction(make_atom_to_site_cost);
+    }
+    // convert to AtomToSiteCostFunction
+    f = [_atom_to_site_cost_f](
+            xtal::Lattice const &lattice, Eigen::Vector3d const &displacement,
+            std::string const &atom_type,
+            std::vector<std::string> const &allowed_atom_types,
+            double infinity) {
+      return _atom_to_site_cost_f.value()(displacement, atom_type,
+                                          allowed_atom_types, infinity);
+    };
   }
   return MappingSearch(_min_cost, _max_cost, _k_best, _atom_cost_f.value(),
-                       _total_cost_f.value(), _atom_to_site_cost_f.value(),
+                       _total_cost_f.value(), f,
                        _enable_remove_mean_displacement, _infinity, _cost_tol);
 }
 
 std::shared_ptr<AtomMappingSearchData> make_AtomMappingSearchData(
     std::shared_ptr<LatticeMappingSearchData const> lattice_mapping_data,
     Eigen::Vector3d const &trial_translation_cart,
-    std::optional<AtomToSiteCostFunction> atom_to_site_cost_f,
-    double infinity) {
-  if (!atom_to_site_cost_f) {
-    atom_to_site_cost_f = AtomToSiteCostFunction(make_atom_to_site_cost);
+    std::optional<DispOnlyAtomToSiteCostFunction> _atom_to_site_cost_f,
+    double infinity,
+    std::optional<AtomToSiteCostFunction> _atom_to_site_cost_future_f) {
+  AtomToSiteCostFunction f;
+  if (_atom_to_site_cost_future_f) {
+    f = _atom_to_site_cost_future_f.value();
+  } else {
+    if (!_atom_to_site_cost_f) {
+      _atom_to_site_cost_f =
+          DispOnlyAtomToSiteCostFunction(make_atom_to_site_cost);
+    }
+    // convert to AtomToSiteCostFunction
+    f = [_atom_to_site_cost_f](
+            xtal::Lattice const &lattice, Eigen::Vector3d const &displacement,
+            std::string const &atom_type,
+            std::vector<std::string> const &allowed_atom_types,
+            double infinity) {
+      return _atom_to_site_cost_f.value()(displacement, atom_type,
+                                          allowed_atom_types, infinity);
+    };
   }
   return std::make_shared<AtomMappingSearchData>(
-      lattice_mapping_data, trial_translation_cart, atom_to_site_cost_f.value(),
-      infinity);
+      lattice_mapping_data, trial_translation_cart, f, infinity);
 }
 
 }  // namespace CASMpy
@@ -101,14 +132,14 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
           prim : libcasm.xtal.Prim
               A primitive reference "parent" structure that a structure
               may be mapped to
-          override_prim_factor_group : Optional[List[libcasm.xtal.SymOp]]
+          override_prim_factor_group : Optional[List[libcasm.xtal.SymOp]] = None
               Optional, allows explicitly setting the symmetry operations
               used to skip symmetrically equivalent structure mappings. The
               default (None), uses the prim factor group as generated by
               `libcasm.xtal.make_prim_factor_group`. The first symmetry
               operation should always be the identity operation. Will raise
               if an empty vector is provided.
-          enable_symmetry_breaking_atom_cost : bool, default=True
+          enable_symmetry_breaking_atom_cost : bool = True
               If symmetry_breaking_atom_cost is intended to be used, setting
               this to true will generate the symmetry-invariant displacement
               modes required for the calculation using this object's
@@ -433,22 +464,76 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
         R"pbdoc(
         Returns the cost for mapping a particular atom to a particular site
 
+
+        .. deprecated:: 2.3.0
+            The :func:`make_atom_to_site_cost_future` method, which takes
+            `lattice` as a parameter, is planned to replace this
+            method in libcasm-mapping>=3.0.0.
+
+        The mapping cost:
+
+        - of a vacancy to any site that allows vacancies is set to
+          0.0.
+        - of an atom to a site that does not allow the atom type is
+          infinity
+        - otherwise, the mapping cost is equal to displacement length
+          squared
+
+        Notes
+        -----
+        Atoms are treated as vacancies if they are named \"Va\", \"VA\",
+        or \"va\".
+
+        Parameters
+        ----------
+        displacement : array_like, shape=(3,)
+            The minimum length displacement, accounting for periodic
+            boundaries, from the site to the atom.
+        atom_type : str,
+            The atom (or vacancy) type.
+        allowed_atom_types : List[str]
+            The atom (or vacancy) types allowed on the site.
+        infinity: float
+            The value to use for the cost of unallowed mappings
+
+        Returns
+        -------
+        cost : float
+            The atom (or vacancy) mapping cost.
+        )pbdoc");
+
+  m.def("make_atom_to_site_cost_future", &make_atom_to_site_cost_future,
+        py::arg("lattice"), py::arg("displacement"), py::arg("atom_type"),
+        py::arg("allowed_atom_types"), py::arg("infinity"),
+        R"pbdoc(
+        Returns the cost for mapping a particular atom to a particular site
+
+        .. deprecated:: 2.3.0
+            This method is planned to replace :func:`make_atom_to_site_cost` in
+            libcasm-mapping>=3.0.0, and this method will be removed.
+
         The mapping cost:
 
         - of a vacancy to any site that allows vacancies is set to
           0.0.
         - of an atom to a site that does not allow the atom type is
           infinity
+        - of a displacement on the lattice voronoi cell boundary is
+          infinity (the displacement is ambiguous as to which periodic
+          image it should map to)
         - otherwise, the mapping cost is equal to displacement length
           squared
 
         Notes
         -----
-        Vacancies should be given the name \"Va\", \"VA\", or \"va\", and
-        checked for with the function :func:`libcasm.xtal.is_vacancy`.
+        Atoms are treated as vacancies if they are named \"Va\", \"VA\",
+        or \"va\".
 
         Parameters
         ----------
+        lattice : libcasm.xtal.Lattice
+            The lattice in which the displacements are calculated under
+            periodic boundary conditions.
         displacement : array_like, shape=(3,)
             The minimum length displacement, accounting for periodic
             boundaries, from the site to the atom.
@@ -456,7 +541,7 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
             The atom (or vacancy) type.
         allowed_atom_types : List[str]
             The atom (or vacancy) types allowed on the site.
-        infinity: float, default=1e20
+        infinity: float
             The value to use for the cost of unallowed mappings
 
         Returns
@@ -505,7 +590,9 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
       .def(py::init<>(&make_AtomMappingSearchData),
            py::arg("lattice_mapping_data"), py::arg("trial_translation_cart"),
            py::arg("atom_to_site_cost_f") = std::nullopt,
-           py::arg("infinity") = 1e20, R"pbdoc(
+           py::arg("infinity") = 1e20,
+           py::arg("atom_to_site_cost_future_f") = std::nullopt,
+           R"pbdoc(
           .. rubric:: Constructor
 
           Parameters
@@ -519,13 +606,35 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
               ideal superstructure setting (i.e.
               atom_coordinate_cart_in_supercell) to bring the atoms and sites
               into alignment.
-          atom_to_site_cost_f : Optional[Callable[[numpy.ndarray[numpy.float64[3, 1]], str, List[str], float], float]] = None
+          atom_to_site_cost_f : Optional[Callable] = None
               A function used to calculate the cost of mapping an atom to a
               particular site. Expected to match the same signature as
               :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost`, which
               is the default method.
-          infinity : float, default=1e20
+
+              .. deprecated:: 2.3.0
+                  The signature of
+                  :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost`
+                  will change in libcasm-mapping>=3.0.0 to accept the lattice
+                  used for finding the displacements under periodic boundary
+                  conditions. The function
+                  :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost_future`
+                  will be used as the default.
+
+          infinity : float = 1e20
               The value to use for the cost of unallowed mappings.
+
+          atom_to_site_cost_future_f : Optional[Callable] = None
+              A function used to calculate the cost of mapping an atom to a
+              particular site. Expected to match the same signature as
+              :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost_future`.
+              If provided, this function will be used with priority over
+              `atom_to_site_cost_f`.
+
+              .. deprecated:: 2.3.0
+                  This argument will be removed in libcasm-mapping>=3.0.0.
+
+
           )pbdoc")
       .def(
           "lattice_mapping_data",
@@ -903,26 +1012,27 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
            py::arg("atom_to_site_cost_f") = std::nullopt,
            py::arg("enable_remove_mean_displacement") = true,
            py::arg("infinity") = 1e20, py::arg("cost_tol") = 1e-5,
+           py::arg("atom_to_site_cost_future_f") = std::nullopt,
            R"pbdoc(
           .. rubric:: Constructor
 
           Parameters
           ----------
-          min_cost : float, default=0.0
+          min_cost : float = 0.0
               Keep mappings with total cost >= min_cost. Nodes that have
               a lower cost will be added to the search queue to enable searching
               for less-optimal solutions but not included in the final results.
-          max_cost : float, default=1e20
+          max_cost : float = 1e20
               Keep mappings with total cost <= max_cost. Nodes that have
               a higher cost will not be included in the final results, nor will
               they be added to the search queue. During the course of a search,
               once `k_best` results have been found, the `max_cost` will be
               shrunk to match the `k_best`-ranked solution.
-          k_best : int, default=1
+          k_best : int = 1
               Keep the k_best mappings with lowest total cost that also
               satisfy the min/max cost criteria. Approximate ties with the
               current `k_best`-ranked result are also kept.
-          atom_cost_f : Optional[Callable[[LatticeMappingSearchData, AtomMappingSearchData, libcasm.mapping.info.AtomMapping], float]] = None
+          atom_cost_f : Optional[Callable] = None
 
               The function used to calculate the atom mapping cost. Expected
               to match the same signature as
@@ -934,27 +1044,46 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
 
               If None, the default value is ``IsotropicAtomCost()``.
 
-          total_cost_f : Callable[[float, LatticeMappingSearchData, float, AtomMappingSearchData, AtomMapping], float]] = None
+          total_cost_f : Optional[Callable] = None
               The function used to calculate the total mapping cost. Expected
               to match the same signature as
               :class:`~libcasm.mapping.mapsearch.WeightedTotalCost.cost`.
               If None, the default value is ``WeightedTotalCost(0.5)``.
 
-          atom_to_site_cost_f : Optional[Callable[[numpy.ndarray[numpy.float64[3, 1]], str, List[str], float], float]] = None
+          atom_to_site_cost_f : Optional[Callable] = None
               A function used to calculate the cost of mapping an atom to a
               particular site. Expected to match the same signature as
               :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost`, which
               is the default method.
 
-          enable_remove_mean_displacement : bool, default=True
+              .. deprecated:: 2.3.0
+                  The signature of
+                  :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost`
+                  will change in libcasm-mapping>=3.0.0 to accept the lattice
+                  used for finding the displacements under periodic boundary
+                  conditions. The function
+                  :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost_future`
+                  will be used as the default.
+
+          enable_remove_mean_displacement : bool = True
               If true, the translation and displacements of an atom
               mapping are adjusted consistently so that the mean displacment
               is zero.
-          infinity : float, default=1e20
+          infinity : float = 1e20
               The value to use in the assignment problem cost matrix for
               unallowed atom-to-site mappings.
-          cost_tol : float, default=1e-5
+          cost_tol : float = 1e-5
               Tolerance for checking if mapping costs are approximately equal.
+          atom_to_site_cost_future_f : Optional[Callable] = None
+              A function used to calculate the cost of mapping an atom to a
+              particular site. Expected to match the same signature as
+              :func:`~libcasm.mapping.mapsearch.make_atom_to_site_cost_future`.
+              If provided, this function will be used with priority over
+              `atom_to_site_cost_f`.
+
+              .. deprecated:: 2.3.0
+                  This argument will be removed in libcasm-mapping>=3.0.0.
+
           )pbdoc")
       .def_readonly("min_cost", &MappingSearch::min_cost,
                     "float: Keep mappings with total cost >= min_cost.")
@@ -1103,15 +1232,15 @@ PYBIND11_MODULE(_mapping_mapsearch, m) {
 
           Parameters
           ----------
-          min_queue_cost : Optional[float], default=None
+          min_queue_cost : Optional[float] = None
               Minimum cost mappings to keep in the search queue and use as the
               starting point for finding next-best cost atom mapping
               assignments.
-          max_queue_cost : Optional[float], default=None
+          max_queue_cost : Optional[float] = None
               Maximum cost mappings to keep in the search queue and use as the
               starting point for finding next-best cost atom mapping
               assignments.
-          max_queue_size : Optional[int], default=None
+          max_queue_size : Optional[int] = None
               Maximum search queue size to allow.
 
           )pbdoc")