PyPartMC 1.1.0__tar.gz → 1.1.2__tar.gz

{PyPartMC-1.1.0/PyPartMC.egg-info → PyPartMC-1.1.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PyPartMC
-Version: 1.1.0
+Version: 1.1.2
 Summary: Python interface to PartMC
 Author: PyPartMC team (see https://github.com/open-atmos/PyPartMC/graphs/contributors)
 Author-email: nriemer@illinois.edu
@@ -10,8 +10,13 @@ Project-URL: Documentation, https://open-atmos.github.io/PyPartMC
 Project-URL: Source, https://github.com/open-atmos/PyPartMC/
 Requires-Python: >=3.7
 Description-Content-Type: text/markdown
-Provides-Extra: tests
 License-File: LICENSE
+Requires-Dist: numpy
+Provides-Extra: tests
+Requires-Dist: pytest; extra == "tests"
+Requires-Dist: pytest-order; extra == "tests"
+Requires-Dist: fastcore!=1.5.8; extra == "tests"
+Requires-Dist: ghapi; extra == "tests"
 
 ![logo](https://raw.githubusercontent.com/wiki/open-atmos/PyPartMC/logo.svg)
 
@@ -22,7 +27,7 @@ PyPartMC is a Python interface to [PartMC](https://lagrange.mechse.illinois.edu/
 PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals.
 The Python API can facilitate using PartMC from other environments - see, e.g., Julia and Matlab examples below.
 
-For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2023 (arXiv)](https://doi.org/10.48550/arXiv.2308.02052) (please cite if PyPartMC is used in your research).
+For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2024 (SoftwareX)](https://doi.org/10.1016/j.softx.2023.101613) (please cite if PyPartMC is used in your research).
 For a list of talks and other relevant resources, please see [project Wiki](https://github.com/open-atmos/PyPartMC/wiki/).
 
 [![US Funding](https://img.shields.io/static/v1?label=US%20DOE%20Funding%20by&color=267c32&message=ASR&logoWidth=25&logo=image/png;base64,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)](https://asr.science.energy.gov/)
@@ -70,7 +75,7 @@ Note: clicking the badges below redirects to cloud-computing platforms. The mybi
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/mie_optical.ipynb)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/mie_optical.ipynb)
 [![ARM JupyterHub](https://img.shields.io/static/v1?label=launch%20in&logo=jupyter&color=lightblue&message=ARM+JupyterHub)](https://jupyterhub.arm.gov/hub/user-redirect/git-pull?repo=https%3A//github.com/open-atmos/PyPartMC&branch=main&urlPath=)
-- Cloud parcel example:
+- Cloud parcel example featuring supersaturation-evolution-coupled CCN activation and drop growth:    
 [![View notebook](https://img.shields.io/static/v1?label=render%20on&logo=github&color=87ce3e&message=GitHub)](https://github.com/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/cloud_parcel.ipynb)

PyPartMC-1.1.2/PyPartMC/__init__.py

@@ -0,0 +1,74 @@
+# pylint: disable=invalid-name,wrong-import-position
+import os
+from collections import namedtuple
+from contextlib import contextmanager
+from pathlib import Path
+
+
+# https://github.com/diegoferigo/cmake-build-extension/blob/master/src/cmake_build_extension/__init__.py
+@contextmanager
+def __build_extension_env():
+    cookies = []
+    # https://docs.python.org/3/whatsnew/3.8.html#bpo-36085-whatsnew
+    if hasattr(os, "add_dll_directory"):
+        basepath = os.path.dirname(os.path.abspath(__file__))
+        dllspath = os.path.join(basepath, "..")
+        os.environ["PATH"] = dllspath + os.pathsep + os.environ["PATH"]
+        for path in os.environ.get("PATH", "").split(os.pathsep):
+            if path and Path(path).is_absolute() and Path(path).is_dir():
+                cookies.append(os.add_dll_directory(path))
+    try:
+        yield
+    finally:
+        for cookie in cookies:
+            cookie.close()
+
+
+def __generate_si():
+    prefixes = {
+        "T": 1e12,
+        "G": 1e9,
+        "M": 1e6,
+        "k": 1e3,
+        "h": 1e2,
+        "da": 1e1,
+        "": 1e0,
+        "d": 1e-1,
+        "c": 1e-2,
+        "m": 1e-3,
+        "u": 1e-6,
+        "n": 1e-9,
+        "p": 1e-12,
+    }
+    units = {
+        "m": 1e0,
+        "g": 1e-3,
+        "s": 1e0,
+        "K": 1e0,
+        "Pa": 1e0,
+        "mol": 1e0,
+        "W": 1e0,
+        "J": 1e0,
+        "N": 1e0,
+    }
+    return namedtuple("SI", [prefix + unit for prefix in prefixes for unit in units])(
+        **{
+            prefix_k + unit_k: prefix_v * unit_v
+            for prefix_k, prefix_v in prefixes.items()
+            for unit_k, unit_v in units.items()
+        }
+    )
+
+
+si = __generate_si()
+""" a utility namedtuple aimed at clrifying physics-related code by providing
+    SI-prefix-aware unit multipliers, resulting in e.g.: `p = 1000 * si.hPa`
+    notation. Note: no dimensional analysis is done! """
+
+with __build_extension_env():
+    import _PyPartMC
+    from _PyPartMC import *
+    from _PyPartMC import __all__ as _PyPartMC_all  # pylint: disable=no-name-in-module
+    from _PyPartMC import __version__, __versions_of_build_time_dependencies__
+
+    __all__ = tuple([*_PyPartMC_all, "si"])

{PyPartMC-1.1.0 → PyPartMC-1.1.2/PyPartMC.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PyPartMC
-Version: 1.1.0
+Version: 1.1.2
 Summary: Python interface to PartMC
 Author: PyPartMC team (see https://github.com/open-atmos/PyPartMC/graphs/contributors)
 Author-email: nriemer@illinois.edu
@@ -10,8 +10,13 @@ Project-URL: Documentation, https://open-atmos.github.io/PyPartMC
 Project-URL: Source, https://github.com/open-atmos/PyPartMC/
 Requires-Python: >=3.7
 Description-Content-Type: text/markdown
-Provides-Extra: tests
 License-File: LICENSE
+Requires-Dist: numpy
+Provides-Extra: tests
+Requires-Dist: pytest; extra == "tests"
+Requires-Dist: pytest-order; extra == "tests"
+Requires-Dist: fastcore!=1.5.8; extra == "tests"
+Requires-Dist: ghapi; extra == "tests"
 
 ![logo](https://raw.githubusercontent.com/wiki/open-atmos/PyPartMC/logo.svg)
 
@@ -22,7 +27,7 @@ PyPartMC is a Python interface to [PartMC](https://lagrange.mechse.illinois.edu/
 PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals.
 The Python API can facilitate using PartMC from other environments - see, e.g., Julia and Matlab examples below.
 
-For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2023 (arXiv)](https://doi.org/10.48550/arXiv.2308.02052) (please cite if PyPartMC is used in your research).
+For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2024 (SoftwareX)](https://doi.org/10.1016/j.softx.2023.101613) (please cite if PyPartMC is used in your research).
 For a list of talks and other relevant resources, please see [project Wiki](https://github.com/open-atmos/PyPartMC/wiki/).
 
 [![US Funding](https://img.shields.io/static/v1?label=US%20DOE%20Funding%20by&color=267c32&message=ASR&logoWidth=25&logo=image/png;base64,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)](https://asr.science.energy.gov/)
@@ -70,7 +75,7 @@ Note: clicking the badges below redirects to cloud-computing platforms. The mybi
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/mie_optical.ipynb)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/mie_optical.ipynb)
 [![ARM JupyterHub](https://img.shields.io/static/v1?label=launch%20in&logo=jupyter&color=lightblue&message=ARM+JupyterHub)](https://jupyterhub.arm.gov/hub/user-redirect/git-pull?repo=https%3A//github.com/open-atmos/PyPartMC&branch=main&urlPath=)
-- Cloud parcel example:
+- Cloud parcel example featuring supersaturation-evolution-coupled CCN activation and drop growth:    
 [![View notebook](https://img.shields.io/static/v1?label=render%20on&logo=github&color=87ce3e&message=GitHub)](https://github.com/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/cloud_parcel.ipynb)

{PyPartMC-1.1.0 → PyPartMC-1.1.2}/README.md

@@ -7,7 +7,7 @@ PyPartMC is a Python interface to [PartMC](https://lagrange.mechse.illinois.edu/
 PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals.
 The Python API can facilitate using PartMC from other environments - see, e.g., Julia and Matlab examples below.
 
-For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2023 (arXiv)](https://doi.org/10.48550/arXiv.2308.02052) (please cite if PyPartMC is used in your research).
+For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2024 (SoftwareX)](https://doi.org/10.1016/j.softx.2023.101613) (please cite if PyPartMC is used in your research).
 For a list of talks and other relevant resources, please see [project Wiki](https://github.com/open-atmos/PyPartMC/wiki/).
 
 [![US Funding](https://img.shields.io/static/v1?label=US%20DOE%20Funding%20by&color=267c32&message=ASR&logoWidth=25&logo=image/png;base64,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)](https://asr.science.energy.gov/)
@@ -55,7 +55,7 @@ Note: clicking the badges below redirects to cloud-computing platforms. The mybi
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/mie_optical.ipynb)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/mie_optical.ipynb)
 [![ARM JupyterHub](https://img.shields.io/static/v1?label=launch%20in&logo=jupyter&color=lightblue&message=ARM+JupyterHub)](https://jupyterhub.arm.gov/hub/user-redirect/git-pull?repo=https%3A//github.com/open-atmos/PyPartMC&branch=main&urlPath=)
-- Cloud parcel example:
+- Cloud parcel example featuring supersaturation-evolution-coupled CCN activation and drop growth:    
 [![View notebook](https://img.shields.io/static/v1?label=render%20on&logo=github&color=87ce3e&message=GitHub)](https://github.com/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/cloud_parcel.ipynb)
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/cloud_parcel.ipynb)

{PyPartMC-1.1.0 → PyPartMC-1.1.2}/src/aero_state.F90

@@ -194,6 +194,24 @@ module PyPartMC_aero_state
 
   end subroutine
 
+  subroutine f_aero_state_mobility_diameters(ptr_c, aero_data_ptr_c, &
+       env_state_ptr_c, diameters, n_parts) bind (C)
+    type(c_ptr), intent(in) :: ptr_c, aero_data_ptr_c, env_state_ptr_c
+    integer(c_int), intent(in) :: n_parts
+    real(c_double), intent(out) :: diameters(n_parts)
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+    type(env_state_t) , pointer :: env_state_ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+    call c_f_pointer(env_state_ptr_c, env_state_ptr_f)
+
+    diameters = aero_state_mobility_diameters(ptr_f, aero_data_ptr_f, &
+         env_state_ptr_f)
+
+  end subroutine
+
   subroutine f_aero_state_diameters(ptr_c, aero_data_ptr_c, diameters, &
        n_parts, include_len, exclude_len, include, exclude) bind(C)
 
@@ -534,4 +552,91 @@ module PyPartMC_aero_state
 
   end subroutine
 
+  subroutine f_aero_state_ids(ptr_c, ids, n_parts) bind(C)
+    type(c_ptr), intent(in) :: ptr_c
+    integer(c_int), intent(in) :: n_parts
+    integer(c_int), intent(out) :: ids(n_parts)
+    type(aero_state_t), pointer :: ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+
+    ids = aero_state_ids(ptr_f)
+
+  end subroutine
+
+  subroutine f_aero_state_make_dry(ptr_c, aero_data_ptr_c) bind(C)
+    type(c_ptr), intent(in) :: ptr_c, aero_data_ptr_c
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    call aero_state_make_dry(ptr_f, aero_data_ptr_f)
+
+  end subroutine
+
+  subroutine f_aero_state_add(ptr_c, delta_ptr_c, aero_data_ptr_c) bind(C)
+    type(c_ptr), intent(in) :: ptr_c, delta_ptr_c, aero_data_ptr_c
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(aero_state_t), pointer :: delta_ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+    call c_f_pointer(delta_ptr_c, delta_ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    call aero_state_add(ptr_f, delta_ptr_f, aero_data_ptr_f)
+
+  end subroutine
+
+  subroutine f_aero_state_add_particles(ptr_c, delta_ptr_c, aero_data_ptr_c &
+       ) bind(C)
+    type(c_ptr), intent(in) :: ptr_c, delta_ptr_c, aero_data_ptr_c
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(aero_state_t), pointer :: delta_ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+    call c_f_pointer(delta_ptr_c, delta_ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    call aero_state_add_particles(ptr_f, delta_ptr_f, aero_data_ptr_f)
+
+  end subroutine
+
+  subroutine f_aero_state_sample(ptr_c, aero_state_to_ptr_c, aero_data_ptr_c, &
+       sample_prob) bind(C)
+    type(c_ptr), intent(in) :: ptr_c, aero_state_to_ptr_c, aero_data_ptr_c
+    real(c_double), intent(in) :: sample_prob
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(aero_state_t), pointer :: aero_state_to_ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+    call c_f_pointer(aero_state_to_ptr_c, aero_state_to_ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    call aero_state_sample(ptr_f, aero_state_to_ptr_f, aero_data_ptr_f, & 
+         sample_prob, AERO_INFO_NONE)
+
+  end subroutine
+
+  subroutine f_aero_state_sample_particles(ptr_c, aero_state_to_ptr_c, &
+        aero_data_ptr_c, sample_prob) bind(C)
+    type(c_ptr), intent(in) :: ptr_c, aero_state_to_ptr_c, aero_data_ptr_c
+    real(c_double), intent(in) :: sample_prob
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(aero_state_t), pointer :: aero_state_to_ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+
+    call c_f_pointer(ptr_c, ptr_f)
+    call c_f_pointer(aero_state_to_ptr_c, aero_state_to_ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    call aero_state_sample_particles(ptr_f, aero_state_to_ptr_f, &
+         aero_data_ptr_f, sample_prob, AERO_INFO_NONE)
+
+  end subroutine
+
 end module

{PyPartMC-1.1.0 → PyPartMC-1.1.2}/src/aero_state.hpp

@@ -71,6 +71,14 @@ extern "C" void f_aero_state_dry_diameters(
     const int *n_parts
 ) noexcept;
 
+extern "C" void f_aero_state_mobility_diameters(
+    const void *ptr,
+    const void *aero_dataptr,
+    const void *env_stateptr,
+    double *mobility_diameters,
+    const int *n_parts
+) noexcept;
+
 extern "C" void f_aero_state_diameters(
     const void *ptr,
     const void *aero_dataptr,
@@ -101,6 +109,11 @@ extern "C" void f_aero_state_crit_rel_humids(
     const int *n_parts
 ) noexcept;
 
+extern "C" void f_aero_state_make_dry(
+    void *ptr,
+    const void *aero_dataptr
+) noexcept;
+
 extern "C" void f_aero_state_mixing_state_metrics(
     const void *aero_state, 
     const void *aero_data,
@@ -163,6 +176,38 @@ extern "C" void f_aero_state_zero(
     void *ptr_c
 ) noexcept;
 
+extern "C" void f_aero_state_ids(
+    const void *ptr_c,
+    int *ids,
+    const int *n_parts
+) noexcept;
+
+extern "C" void f_aero_state_add(
+     void *ptr_c,
+     const void *delta_ptr_c,
+     const void *aero_data_ptr
+) noexcept;
+
+extern "C" void f_aero_state_add_particles(
+     void *ptr_c,
+     const void *delta_ptr_c,
+     const void *aero_data_ptr
+) noexcept;
+
+extern "C" void f_aero_state_sample(
+     void *ptr_c,
+     void *aero_state_to_ptr_c,
+     const void *aero_data_ptr,
+     const double *sample_prob
+) noexcept;
+
+extern "C" void f_aero_state_sample_particles(
+     void *ptr_c,
+     void *aero_state_to_ptr_c,
+     const void *aero_data_ptr,
+     const double *sample_prob
+) noexcept;
+
 template <typename arr_t, typename arg_t>
 auto pointer_vec_magic(arr_t &data_vec, const arg_t &arg) {
     std::vector<char*> pointer_vec(data_vec.size());
@@ -313,6 +358,25 @@ struct AeroState {
         return dry_diameters;
     }
 
+    static auto mobility_diameters(const AeroState &self, const EnvState &env_state) {
+        int len;
+        f_aero_state_len(
+            self.ptr.f_arg(),
+            &len
+        );
+        std::valarray<double> mobility_diameters(len);
+
+        f_aero_state_mobility_diameters(
+            self.ptr.f_arg(),
+            self.aero_data->ptr.f_arg(),
+            env_state.ptr.f_arg(),
+            begin(mobility_diameters),
+            &len
+        );
+
+        return mobility_diameters;
+    }
+
     static auto diameters(
         const AeroState &self,
         const tl::optional<std::valarray<std::string>> &include,
@@ -401,6 +465,32 @@ struct AeroState {
         return crit_rel_humids;
     }
 
+    static void make_dry(
+        AeroState &self
+    ) {
+        f_aero_state_make_dry(
+            self.ptr.f_arg_non_const(),
+            self.aero_data->ptr.f_arg()
+        );
+    }
+
+    static auto ids(const AeroState &self) {
+        int len;
+        f_aero_state_len(
+            self.ptr.f_arg(),
+            &len
+        );
+        std::valarray<int> ids(len);
+
+        f_aero_state_ids(
+            self.ptr.f_arg(),
+            begin(ids),
+            &len
+        );
+
+        return ids;
+    }
+
     static auto mixing_state(
         const AeroState &self,
         const tl::optional<std::valarray<std::string>> &include,
@@ -538,4 +628,48 @@ struct AeroState {
    ) {
       f_aero_state_zero(self.ptr.f_arg_non_const());
    }
+
+   static void add(
+       AeroState &self,
+       const AeroState &delta
+   )  {
+        f_aero_state_add(self.ptr.f_arg_non_const(),
+            delta.ptr.f_arg(),
+            self.aero_data->ptr.f_arg()
+      );
+   }
+
+   static void add_particles(
+       AeroState &self,
+       const AeroState &delta
+   )  {
+        f_aero_state_add_particles(self.ptr.f_arg_non_const(),
+            delta.ptr.f_arg(),
+            self.aero_data->ptr.f_arg()
+      );
+   }
+
+   static void sample(
+       AeroState &self,
+       AeroState &aero_state_sample,
+       const double sample_prob
+   )  {
+        f_aero_state_sample(self.ptr.f_arg_non_const(),
+            aero_state_sample.ptr.f_arg_non_const(),
+            self.aero_data->ptr.f_arg(),
+            &sample_prob
+      );
+   }
+
+   static void sample_particles(
+       AeroState &self,
+       AeroState &aero_state_sample,
+       const double sample_prob
+   )  {
+        f_aero_state_sample_particles(self.ptr.f_arg_non_const(),
+            aero_state_sample.ptr.f_arg_non_const(),
+            self.aero_data->ptr.f_arg(),
+            &sample_prob
+      );
+   }
 };

{PyPartMC-1.1.0 → PyPartMC-1.1.2}/src/pypartmc.cpp

@@ -223,11 +223,17 @@ PYBIND11_MODULE(_PyPartMC, m) {
              py::arg("include") = py::none(), py::arg("exclude") = py::none())
         .def_property_readonly("dry_diameters", AeroState::dry_diameters,
             "returns the dry diameter of each particle in the population")
+        .def("mobility_diameters", AeroState::mobility_diameters,
+            "returns the mobility diameter of each particle in the population")
         .def("diameters", AeroState::diameters,
             "returns the diameter of each particle in the population",
             py::arg("include") = py::none(), py::arg("exclude") = py::none())
         .def("crit_rel_humids", AeroState::crit_rel_humids,
             "returns the critical relative humidity of each particle in the population")
+        .def("make_dry", AeroState::make_dry,
+            "Make all particles dry (water set to zero).")
+        .def_property_readonly("ids", AeroState::ids,
+            "returns the IDs of all particles.")
         .def("mixing_state", AeroState::mixing_state,
             "returns the mixing state parameters (d_alpha, d_gamma, chi) of the population",
             py::arg("include") = py::none(), py::arg("exclude") = py::none(),
@@ -243,6 +249,24 @@ PYBIND11_MODULE(_PyPartMC, m) {
             py::arg("AeroDist"), py::arg("sample_prop") = 1.0, py::arg("create_time") = 0.0,
             py::arg("allow_doubling") = true, py::arg("allow_halving") = true)
         .def("add_particle", AeroState::add_particle, "add a particle to an AeroState")
+        .def("add", AeroState::add,
+            R"pbdoc(aero_state += aero_state_delta, including combining the
+            weights, so the new concentration is the weighted average of the
+            two concentrations.)pbdoc")
+        .def("add_particles", AeroState::add_particles,
+            R"pbdoc(aero_state += aero_state_delta, with the weight left unchanged
+             so the new concentration is the sum of the two concentrations.)pbdoc")
+        .def("sample", AeroState::sample,
+             R"pbdoc(Generates a random sample by removing particles from
+             aero_state_from and adding them to aero_state_to, transfering
+             weight as well. This is the equivalent of aero_state_add().)pbdoc")
+        .def("sample_particles", AeroState::sample_particles,
+             R"pbdoc(  !> Generates a random sample by removing particles from
+             aero_state_from and adding them to aero_state_to, which must be
+             already allocated (and should have its weight set).
+
+             None of the weights are altered by this sampling, making this the
+             equivalent of aero_state_add_particles().)pbdoc")
         .def("copy_weight", AeroState::copy_weight,
              "copy weighting from another AeroState")
         .def("remove_particle", AeroState::remove_particle,