From 4ecae30bbcdce52b62af205261bd8c4f6e410257 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 22:38:00 +0100 Subject: [PATCH 1/8] dependabot suggestions --- .github/workflows/docs.yml | 2 +- docs/source/requirements.txt | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index 1002523..e9c9e7b 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -12,7 +12,7 @@ jobs: fetch-depth: 0 # otherwise, you will fail to push refs to dest repo - name: Build and Commit - uses: sphinx-notes/pages@2.0 + uses: sphinx-notes/pages@3.0 with: documentation_path: docs/source requirements_path: docs/source/requirements.txt diff --git a/docs/source/requirements.txt b/docs/source/requirements.txt index b7a9eab..df2ecea 100644 --- a/docs/source/requirements.txt +++ b/docs/source/requirements.txt @@ -1,2 +1,2 @@ sphinx>=5 -pydata-sphinx-theme>=0.13 +pydata-sphinx-theme>=0.13.3 From 548cce12dc02a143d8c108f8d311ee61449a9101 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 22:41:33 +0100 Subject: [PATCH 2/8] try newer sphinx-notes --- .github/workflows/docs.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index e9c9e7b..541a54b 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -12,7 +12,7 @@ jobs: fetch-depth: 0 # otherwise, you will fail to push refs to dest repo - name: Build and Commit - uses: sphinx-notes/pages@3.0 + uses: sphinx-notes/pages@3.5 with: documentation_path: docs/source requirements_path: docs/source/requirements.txt From dc1e0e72f710d345589739dac8656db94cbecf25 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 22:46:11 +0100 Subject: [PATCH 3/8] sitch to github actions rather than gh-pages --- .github/workflows/docs.yml | 18 ++++++++---------- 1 file changed, 8 insertions(+), 10 deletions(-) diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index 541a54b..b5ccfc1 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -5,22 +5,20 @@ on: [push] jobs: build_docs: runs-on: ubuntu-latest + permissions: + contents: read + pages: write + id-token: write steps: - name: Checkout uses: actions/checkout@v4 with: - fetch-depth: 0 # otherwise, you will fail to push refs to dest repo + fetch-depth: 0 - - name: Build and Commit + - name: Build and Deploy + # Deploys to GitHub Pages only on main or release tags (v*) + if: "github.ref == 'refs/heads/main' || (github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/v'))" uses: sphinx-notes/pages@3.5 with: documentation_path: docs/source requirements_path: docs/source/requirements.txt - - - name: Push changes to gh-pages branch - # triggered on main branch or release tags (named v*) - if: "github.ref == 'refs/heads/main' || (github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/v'))" - uses: ad-m/github-push-action@v0.6.0 - with: - github_token: ${{ secrets.GITHUB_TOKEN }} - branch: gh-pages From 467adb67ba061732ec7c302b8983aa847222669f Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 23:06:53 +0100 Subject: [PATCH 4/8] Update documentation and improve CMake configuration for libdedx --- .gitignore | 1 + CMakeLists.txt | 3 + README.md | 80 ++++++++- docs/doxygen/Doxyfile | 29 ++++ docs/doxygen/README.md | 13 ++ libdedx/dedx.h | 347 ++++++++++++++++++++++++++++++---------- libdedx/dedx_tools.h | 65 +++++++- libdedx/dedx_wrappers.h | 72 +++++++++ python/CMakeLists.txt | 2 +- 9 files changed, 522 insertions(+), 90 deletions(-) create mode 100644 docs/doxygen/Doxyfile create mode 100644 docs/doxygen/README.md diff --git a/.gitignore b/.gitignore index a89b26b..6c67661 100644 --- a/.gitignore +++ b/.gitignore @@ -3,6 +3,7 @@ build/ build-release/ build-coverage/ +docs/doxygen/html/ .codex # Generated by CMake at configure time - do not commit diff --git a/CMakeLists.txt b/CMakeLists.txt index e0c764d..1162179 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -2,6 +2,9 @@ cmake_minimum_required(VERSION 3.21) project(dedx LANGUAGES C) +set(CMAKE_C_STANDARD 11) +set(CMAKE_C_STANDARD_REQUIRED ON) + set(CMAKE_EXPORT_COMPILE_COMMANDS ON) # ---- Version from git tag ---- diff --git a/README.md b/README.md index 344fb51..3cf2090 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,79 @@ # libdedx -libdEdx is a physics library for stopping power calculations. -Stopping power is the energy loss of a particle per unit length (dE/dx). -libdedx is supposed to be both fast and easy to use, and features multiple standard dE/dx lists (ICRU, MSTAR...) +[![CI](https://github.com/APTG/libdedx/actions/workflows/ci.yml/badge.svg)](https://github.com/APTG/libdedx/actions/workflows/ci.yml) +[![Coverage](https://codecov.io/gh/APTG/libdedx/graph/badge.svg)](https://codecov.io/gh/APTG/libdedx) +[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) -For the documentation see: https://aptg.github.io/libdedx/ +A C library for stopping power calculations (dE/dx) — the energy loss of a charged particle per unit length of material. + +Full documentation: https://aptg.github.io/libdedx/ + +## Supported programs + +| Program | Description | Ions | +|-----------------|--------------------------------------------------|---------------| +| `DEDX_PSTAR` | NIST PSTAR database | Protons | +| `DEDX_ASTAR` | NIST ASTAR database | Alpha particles | +| `DEDX_MSTAR` | MSTAR code | Heavy ions | +| `DEDX_ICRU49` | ICRU Report 49 (1993) | p, He | +| `DEDX_ICRU73` | ICRU Report 73 (2005) | Heavy ions | +| `DEDX_ICRU73_OLD` | ICRU Report 73, older parametrization | Heavy ions | +| `DEDX_BETHE_EXT00` | Bethe formula with extensions | All ions | +| `DEDX_ICRU` | Auto-selects ICRU49 or ICRU73 by ion type | p, He, heavy | + +## Quick start + +One-call API for a single stopping power value: + +```c +#include + +int err = 0; +float stp = dedx_get_simple_stp(DEDX_PROTON, DEDX_WATER, 100.0f, &err); +// stp in MeV cm² / g at 100 MeV/u +``` + +Full API with workspace for repeated evaluations: + +```c +#include +#include + +int err = 0; +dedx_workspace *ws = dedx_allocate_workspace(1, &err); +dedx_config *cfg = calloc(1, sizeof(dedx_config)); + +cfg->program = DEDX_PSTAR; +cfg->ion = DEDX_PROTON; +cfg->target = DEDX_WATER; + +dedx_load_config(ws, cfg, &err); +float stp = dedx_get_stp(ws, cfg, 100.0f, &err); + +dedx_free_config(cfg, &err); +dedx_free_workspace(ws, &err); +``` + +See the [examples/](examples/) directory for more usage patterns. + +## Building + +Requires CMake 3.21+ and a C11 compiler. + +```bash +cmake --preset debug +cmake --build --preset debug +ctest --preset debug +``` + +To install: + +```bash +cmake --preset release -DCMAKE_INSTALL_PREFIX=/your/prefix +cmake --build --preset release +cmake --install build-release +``` + +## License + +libdedx is free software, distributed under the [GNU General Public License v3](https://www.gnu.org/licenses/gpl-3.0). diff --git a/docs/doxygen/Doxyfile b/docs/doxygen/Doxyfile new file mode 100644 index 0000000..ed4e39e --- /dev/null +++ b/docs/doxygen/Doxyfile @@ -0,0 +1,29 @@ +PROJECT_NAME = "libdedx" +PROJECT_BRIEF = "Stopping power (dE/dx) library" +PROJECT_NUMBER = + +INPUT = ../../libdedx/dedx.h ../../libdedx/dedx_wrappers.h ../../libdedx/dedx_tools.h +RECURSIVE = NO + +OUTPUT_DIRECTORY = . +GENERATE_HTML = YES +HTML_OUTPUT = html +GENERATE_LATEX = NO + +EXTRACT_ALL = NO +EXTRACT_PRIVATE = NO +EXTRACT_STATIC = NO + +HIDE_UNDOC_MEMBERS = YES +HIDE_UNDOC_CLASSES = YES + +QUIET = YES +WARNINGS = YES +WARN_IF_UNDOCUMENTED = NO + +JAVADOC_AUTOBRIEF = YES +QT_AUTOBRIEF = NO + +OPTIMIZE_OUTPUT_FOR_C = YES + +ALPHABETICAL_INDEX = YES diff --git a/docs/doxygen/README.md b/docs/doxygen/README.md new file mode 100644 index 0000000..5057fcd --- /dev/null +++ b/docs/doxygen/README.md @@ -0,0 +1,13 @@ +# Doxygen API documentation + +Generate the HTML documentation locally: + +```bash +cd docs/doxygen +doxygen Doxyfile +``` + +Then open `docs/doxygen/html/index.html` in a browser. + +The generated `html/` directory is gitignored. +For full documentation including narrative pages, see the Sphinx docs in `docs/source/`. diff --git a/libdedx/dedx.h b/libdedx/dedx.h index ecae78c..8ce4478 100644 --- a/libdedx/dedx.h +++ b/libdedx/dedx.h @@ -1,25 +1,65 @@ #ifndef DEDX_H_INCLUDED #define DEDX_H_INCLUDED +/** + * @file dedx.h + * @brief Public API for libdedx — a stopping power (dE/dx) library. + * + * Stopping power is the energy loss of a charged particle per unit path length + * through a material, expressed in MeV cm² / g (mass stopping power). + * + * Typical usage: + * @code + * int err = 0; + * dedx_workspace *ws = dedx_allocate_workspace(1, &err); + * dedx_config *cfg = calloc(1, sizeof(dedx_config)); + * cfg->program = DEDX_PSTAR; + * cfg->ion = DEDX_PROTON; + * cfg->target = DEDX_WATER; + * dedx_load_config(ws, cfg, &err); + * float stp = dedx_get_stp(ws, cfg, 100.0f, &err); // MeV cm²/g at 100 MeV/u + * dedx_free_config(cfg, &err); + * dedx_free_workspace(ws, &err); + * @endcode + */ + #define _DEDX_MAXELEMENTS 150 -/* available data tables */ +/** + * @defgroup programs Stopping power programs + * @brief Identifiers for the supported stopping power databases/models. + * @{ + */ enum { - DEDX_ASTAR = 1, - DEDX_PSTAR, - DEDX_ESTAR, - DEDX_MSTAR, - DEDX_ICRU73_OLD, - DEDX_ICRU73, - DEDX_ICRU49, - _DEDX_0008, - DEDX_ICRU, - DEDX_DEFAULT = 100, - DEDX_BETHE_EXT00 + DEDX_ASTAR = 1, /**< NIST ASTAR — alpha particle stopping powers */ + DEDX_PSTAR, /**< NIST PSTAR — proton stopping powers */ + DEDX_ESTAR, /**< NIST ESTAR — electron stopping powers (not fully supported) */ + DEDX_MSTAR, /**< MSTAR — stopping powers for heavier ions */ + DEDX_ICRU73_OLD, /**< ICRU Report 73 (2005), older parametrization */ + DEDX_ICRU73, /**< ICRU Report 73 (2005) */ + DEDX_ICRU49, /**< ICRU Report 49 (1993) — protons and alpha particles */ + _DEDX_0008, /**< Reserved */ + DEDX_ICRU, /**< Auto-selects ICRU49 or ICRU73 based on ion type */ + DEDX_DEFAULT = 100, /**< Default program (Bethe formula) */ + DEDX_BETHE_EXT00 /**< Bethe formula with extensions */ }; +/** @} */ -enum { DEDX_DEFAULT_STATE = 0, DEDX_GAS, DEDX_CONDENSED }; +/** + * @defgroup states Material aggregate states + * @{ + */ +enum { DEDX_DEFAULT_STATE = 0, /**< Default state (normal state of aggregation) */ + DEDX_GAS, /**< Force gas state */ + DEDX_CONDENSED }; /**< Force condensed state */ +/** @} */ +/** + * @defgroup mstar_modes MSTAR calculation modes + * @brief Modes for the MSTAR stopping power program. + * Mode B is recommended by H. Paul. + * @{ + */ enum { DEDX_MSTAR_MODE_A = 'a', DEDX_MSTAR_MODE_B = 'b', @@ -27,9 +67,16 @@ enum { DEDX_MSTAR_MODE_H = 'h', DEDX_MSTAR_MODE_C = 'c', DEDX_MSTAR_MODE_D = 'd', - DEDX_MSTAR_MODE_DEFAULT = 'b' /* as recommended by Helmut Paul */ + DEDX_MSTAR_MODE_DEFAULT = 'b' /**< Recommended by Helmut Paul */ }; +/** @} */ +/** + * @defgroup ions Ion identifiers + * @brief Atomic number (Z) based identifiers for projectile ions. + * Elements 1–98 correspond to their atomic number. + * @{ + */ enum { DEDX_HYDROGEN = 1, DEDX_HELIUM, @@ -130,6 +177,16 @@ enum { DEDX_CURIUM, DEDX_BERKELIUM, DEDX_CALIFORNIUM, +}; +/** @} */ + +/** + * @defgroup materials Material (target) identifiers + * @brief Identifiers for compound and elemental target materials. + * Based on the NIST material database. + * @{ + */ +enum { DEDX_A150_TISSUE_EQUIVALENT_PLASTIC, DEDX_ACETONE, DEDX_ACETYLENE, @@ -311,39 +368,118 @@ enum { DEDX_WATER_VAPOR, DEDX_XYLENE }; +/** @} */ -#define DEDX_PROTON 1 -#define DEDX_ELECTRON 1001 -#define DEDX_POSITRON 1002 -#define DEDX_PIMINUS 1003 -#define DEDX_PIPLUS 1004 -#define DEDX_PIZERO 1005 -#define DEDX_ANTIPROTON 1006 - -/* aliases */ -#define DEDX_WATER DEDX_WATER_LIQUID -#define DEDX_AIR DEDX_AIR_DRY_NEAR_SEA_LEVEL -#define DEDX_PMMA DEDX_LUCITE_PERSPEX_PMMA -#define DEDX_PERSPEX DEDX_LUCITE_PERSPEX_PMMA -#define DEDX_LUCITE DEDX_LUCITE_PERSPEX_PMMA -#define DEDX_TEFLON DEDX_POLYTETRAFLUOROETHYLENE +/** @defgroup special_ions Special particle identifiers + * @brief Identifiers for particles that do not map directly to atomic number. + * @{ + */ +#define DEDX_PROTON 1 /**< Proton (Z=1, same as DEDX_HYDROGEN) */ +#define DEDX_ELECTRON 1001 /**< Electron */ +#define DEDX_POSITRON 1002 /**< Positron */ +#define DEDX_PIMINUS 1003 /**< Pi minus */ +#define DEDX_PIPLUS 1004 /**< Pi plus */ +#define DEDX_PIZERO 1005 /**< Pi zero */ +#define DEDX_ANTIPROTON 1006 /**< Antiproton */ +/** @} */ + +/** @defgroup aliases Common material aliases + * @{ + */ +#define DEDX_WATER DEDX_WATER_LIQUID +#define DEDX_AIR DEDX_AIR_DRY_NEAR_SEA_LEVEL +#define DEDX_PMMA DEDX_LUCITE_PERSPEX_PMMA +#define DEDX_PERSPEX DEDX_LUCITE_PERSPEX_PMMA +#define DEDX_LUCITE DEDX_LUCITE_PERSPEX_PMMA +#define DEDX_TEFLON DEDX_POLYTETRAFLUOROETHYLENE #define DEDX_CONCRETE DEDX_CONCRETE_PORTLAND -#define DEDX_CAESIUM DEDX_CESIUM +#define DEDX_CAESIUM DEDX_CESIUM +/** @} */ +/** @brief Translate a numeric error code to a human-readable string. + * @param[out] err_str Buffer to receive the error description (caller-allocated). + * @param[in] err Error code returned by a libdedx function. + */ void dedx_get_error_code(char *err_str, int err); + +/** @brief Return the display name of a stopping power program. + * @param[in] program Program identifier (e.g. DEDX_PSTAR). + * @return Pointer to a static string; do not free. + */ const char *dedx_get_program_name(int program); + +/** @brief Return the version string of a stopping power program. + * @param[in] program Program identifier. + * @return Pointer to a static string; do not free. + */ const char *dedx_get_program_version(int program); + +/** @brief Return the display name of a target material. + * @param[in] material Material identifier (e.g. DEDX_WATER). + * @return Pointer to a static string; do not free. + */ const char *dedx_get_material_name(int material); + +/** @brief Return the display name of an ion. + * @param[in] ion Ion identifier (e.g. DEDX_PROTON). + * @return Pointer to a static string; do not free. + */ const char *dedx_get_ion_name(int ion); + +/** @brief Retrieve the library version. + * @param[out] major Major version number. + * @param[out] minor Minor version number. + * @param[out] patch Patch version number. + */ void dedx_get_version(int *major, int *minor, int *patch); + +/** @brief Retrieve the elemental composition of a compound target. + * @param[in] target Material identifier. + * @param[out] composition 2D array [element][0=Z, 1=mass_fraction]. + * @param[out] comp_len Number of elements in the composition. + * @param[out] err Error code; 0 on success. + */ void dedx_get_composition(int target, float composition[][2], unsigned int *comp_len, int *err); + +/** @brief Retrieve the mean excitation potential (I-value) of a material. + * @param[in] target Material identifier. + * @param[out] err Error code; 0 on success. + * @return I-value in eV. + */ float dedx_get_i_value(int target, int *err); +/** @brief Return a null-terminated list of supported program identifiers. + * @return Pointer to a static array terminated by 0; do not free. + */ const int *dedx_get_program_list(void); + +/** @brief Return a null-terminated list of materials supported by a program. + * @param[in] program Program identifier. + * @return Pointer to a static array terminated by 0; do not free. + */ const int *dedx_get_material_list(int program); + +/** @brief Return a null-terminated list of ions supported by a program. + * @param[in] program Program identifier. + * @return Pointer to a static array terminated by 0; do not free. + */ const int *dedx_get_ion_list(int program); + +/** @brief Return the minimum valid energy for a program/ion combination. + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @return Minimum energy in MeV/u. + */ float dedx_get_min_energy(int program, int ion); + +/** @brief Return the maximum valid energy for a program/ion combination. + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @return Maximum energy in MeV/u. + */ float dedx_get_max_energy(int program, int ion); + +/** @cond INTERNAL */ typedef struct { int cache; int hits; @@ -367,72 +503,117 @@ typedef struct { int datapoints; _dedx_lookup_accelerator acc; } _dedx_lookup_data; +/** @endcond */ +/** + * @brief Workspace holding preloaded stopping power datasets. + * + * Allocate with dedx_allocate_workspace() and free with dedx_free_workspace(). + * A workspace can hold multiple loaded configurations simultaneously. + */ typedef struct { - _dedx_lookup_data **loaded_data; - int datasets; - int active_datasets; - + _dedx_lookup_data **loaded_data; /**< Array of loaded datasets */ + int datasets; /**< Total number of dataset slots */ + int active_datasets; /**< Number of currently loaded datasets */ } dedx_workspace; +/** @brief Allocate a workspace for loading stopping power data. + * @param[in] count Maximum number of configurations to hold simultaneously. + * @param[out] err Error code; 0 on success. + * @return Pointer to allocated workspace, or NULL on failure. + */ dedx_workspace *dedx_allocate_workspace(unsigned int count, int *err); + +/** @brief Free a workspace and all loaded data. + * @param[in] workspace Workspace to free. + * @param[out] err Error code; 0 on success. + */ void dedx_free_workspace(dedx_workspace *workspace, int *err); -// Experimental New API +/** + * @brief Configuration for a stopping power calculation. + * + * Populate the required fields and pass to dedx_load_config(). + * After loading, the struct reflects the resolved configuration + * (applied I-values, elemental composition, state, etc.). + * + * Required fields before calling dedx_load_config(): + * - @c program + * - @c ion + * - @c target (or @c elements_id + @c elements_length for custom compounds) + * + * Optional fields: + * - @c compound_state — defaults to normal state of aggregation + * - @c mstar_mode — defaults to DEDX_MSTAR_MODE_DEFAULT + * - @c i_value — defaults to tabulated ICRU values + * - @c rho — required for Bethe-type programs (DEDX_BETHE_EXT00) + */ typedef struct { - int cfg_id; - int program; - int target; /* target can either be an element or a compound */ - int ion; /* id number of projectile */ - int ion_a; /* nucleon number of projectile */ - int bragg_used; /* is 1 if braggs additivity rule was applied */ - int compound_state; /* DEDX_DEFAULT=0, DEDX_GAS DEDX_CONDENSED ... */ - - unsigned int elements_length; /* elements_length --- number of unique elements in comp. */ - unsigned int loaded; - int *elements_id; /* elements_id --- Z of each element */ - int *elements_atoms; /* elements_atoms --- number of atoms per comp. unit */ - char mstar_mode; /* DEDX_MSTAR_MODE_DEFAULT, _A, _B, _C ... */ - float i_value; /* i_value --- mean excitation potential of target */ - float _temp_i_value; /*used intern for passing i_value to bethe function*/ - float rho; /* density in g/cm^3 */ - float *elements_mass_fraction; /* mass_fraction of each element */ - float *elements_i_value; /* i_value of each element */ - const char *target_name; - const char *ion_name; - const char *program_name; + int cfg_id; /**< Configuration ID assigned by dedx_load_config(); do not set. */ + int program; /**< Stopping power program (e.g. DEDX_PSTAR). Required. */ + int target; /**< Target material identifier, or 0 for custom compound. */ + int ion; /**< Projectile ion identifier (e.g. DEDX_PROTON). Required. */ + int ion_a; /**< Nucleon number of projectile (set automatically). */ + int bragg_used; /**< 1 if Bragg additivity rule was applied; set by library. */ + int compound_state; /**< Aggregate state: DEDX_DEFAULT, DEDX_GAS, or DEDX_CONDENSED. */ + + unsigned int elements_length; /**< Number of elements in custom compound. */ + unsigned int loaded; /**< 1 if configuration has been loaded; set by library. */ + int *elements_id; /**< Atomic numbers (Z) of each element in compound. */ + int *elements_atoms; /**< Number of atoms per formula unit for each element. */ + char mstar_mode; /**< MSTAR mode: DEDX_MSTAR_MODE_DEFAULT or A–H. */ + float i_value; /**< Mean excitation potential of target in eV. */ + float _temp_i_value; /**< Internal: temporary I-value for Bethe calculation. */ + float rho; /**< Target density in g/cm³ (required for DEDX_BETHE_EXT00). */ + float *elements_mass_fraction; /**< Mass fractions of each element (alternative to atoms). */ + float *elements_i_value; /**< I-values of individual elements in eV. */ + const char *target_name; /**< Resolved target name; set by library. */ + const char *ion_name; /**< Resolved ion name; set by library. */ + const char *program_name; /**< Resolved program name; set by library. */ } dedx_config; +/** @brief Load a stopping power configuration into the workspace. + * + * Must be called before dedx_get_stp(). After this call, dedx_config + * reflects the resolved configuration but changes to the struct have no effect. + * + * @param[in] ws Workspace to load into. + * @param[in,out] config Configuration to load; updated with resolved values. + * @param[out] err Error code; 0 on success. + */ void dedx_load_config(dedx_workspace *ws, dedx_config *config, int *err); + +/** @brief Evaluate the stopping power at a given energy. + * + * @param[in] ws Workspace with a loaded configuration. + * @param[in] config Loaded configuration (cfg_id must be valid). + * @param[in] energy Kinetic energy in MeV/u. + * @param[out] err Error code; 0 on success. + * @return Mass stopping power in MeV cm²/g. + */ float dedx_get_stp(dedx_workspace *ws, dedx_config *config, float energy, int *err); + +/** @brief One-call stopping power evaluation using the default program for the ion. + * + * Convenience wrapper: allocates a workspace internally, loads the appropriate + * program, evaluates, and frees. Not suitable for repeated calls. + * + * @param[in] ion Ion identifier (e.g. DEDX_PROTON). + * @param[in] target Target material identifier (e.g. DEDX_WATER). + * @param[in] energy Kinetic energy in MeV/u. + * @param[out] err Error code; 0 on success. + * @return Mass stopping power in MeV cm²/g. + */ float dedx_get_simple_stp(int ion, int target, float energy, int *err); -void dedx_free_config(dedx_config *config, int *err); -/* - dedx_config must be specified BEFORE calling dedx_load_config() - -cfg_id: configuration id, which is set by dedx_config. Don't touch. -program: must have -target: if NOT specified, then specify element_id -ion: must have -compound_state: if DEDX_DEFAULT (0), then this val is set to -normal state of aggregation -elements_length: must be specified if target is undefined (DEDX_UNDEFINED) - *elements_id: must be specified if target is undefined - *elements_atoms: must be specified if target AND element_mass_fraction - are undefined -mstar_mode: if DEDX_DEFAULT, then 'b' method of MSTAR is used, which was recommended by H. Paul -i_value: if DEDX_DEFAULT, then ICRU I values are used for target compound, -if target is set, or if target is 0, then it is calculated from -the individual i-values set in elements_i_value. -rho: density of material, used by BETHE-type algorithms (DEDX_BETHE_EXT00) -elements_mass_fraction: must be specified if target=0 and elements_atoms = 0 -elements_i_value: if target is 0, then individual I-values of elements can -be specified here. - -Once dedx_load_config() was invoked, dedx_config is out of scope, -any changes to this structure will have no effect, except for cfg_id. -The user can still use it to check applied I-values, element compositions -and states, etc. + +/** @brief Free a dedx_config and any memory allocated inside it. + * + * Always use this instead of plain free() for configs that have been + * passed to dedx_load_config(), as the library may allocate internal arrays. + * + * @param[in] config Configuration to free. + * @param[out] err Error code; 0 on success. */ +void dedx_free_config(dedx_config *config, int *err); #endif // DEDX_H_INCLUDED diff --git a/libdedx/dedx_tools.h b/libdedx/dedx_tools.h index 67f88aa..bdd7ae4 100644 --- a/libdedx/dedx_tools.h +++ b/libdedx/dedx_tools.h @@ -1,17 +1,78 @@ #ifndef DEDX_TOOLS_H_INCLUDED #define DEDX_TOOLS_H_INCLUDED + +/** + * @file dedx_tools.h + * @brief Additional tools: CSDA range, inverse stopping power, and unit conversion. + */ + #include "dedx.h" -enum dedx_stp_units { DEDX_MEVCM2G, DEDX_MEVCM, DEDX_KEVUM }; +/** + * @brief Units for stopping power values. + */ +enum dedx_stp_units { + DEDX_MEVCM2G, /**< MeV cm²/g — mass stopping power (default) */ + DEDX_MEVCM, /**< MeV/cm — linear stopping power */ + DEDX_KEVUM /**< keV/µm — linear stopping power */ +}; + +/** @brief Compute the CSDA range at a given energy. + * + * The Continuous Slowing Down Approximation (CSDA) range is the path length + * a particle travels while losing all its kinetic energy. + * + * @param[in] ws Workspace with a loaded configuration. + * @param[in] config Loaded configuration. + * @param[in] energy Kinetic energy in MeV/u. + * @param[out] err Error code; 0 on success. + * @return CSDA range in g/cm². + */ double dedx_get_csda(dedx_workspace *ws, dedx_config *config, float energy, int *err); + +/** @brief Find the energy corresponding to a given stopping power value. + * + * Inverts the stopping power curve. Since stopping power is non-monotonic, + * the @p side parameter selects which branch to use. + * + * @param[in] ws Workspace with a loaded configuration. + * @param[in] config Loaded configuration. + * @param[in] stp Target stopping power in MeV cm²/g. + * @param[in] side 0 = low-energy branch, 1 = high-energy branch. + * @param[out] err Error code; 0 on success. + * @return Energy in MeV/u. + */ double dedx_get_inverse_stp(dedx_workspace *ws, dedx_config *config, float stp, int side, int *err); + +/** @brief Find the energy corresponding to a given CSDA range. + * + * @param[in] ws Workspace with a loaded configuration. + * @param[in] config Loaded configuration. + * @param[in] range CSDA range in g/cm². + * @param[out] err Error code; 0 on success. + * @return Energy in MeV/u. + */ double dedx_get_inverse_csda(dedx_workspace *ws, dedx_config *config, float range, int *err); +/** @cond INTERNAL */ float _conversion_factor(const int old_unit, const int new_unit, const int material, int *err); +/** @endcond */ + +/** @brief Convert an array of stopping power values between unit systems. + * + * @param[in] old_unit Source unit (dedx_stp_units). + * @param[in] new_unit Target unit (dedx_stp_units). + * @param[in] material Material identifier (needed for density when converting to/from linear units). + * @param[in] no_of_points Number of values to convert. + * @param[in] old_values Input array (length: no_of_points). + * @param[out] new_values Output array (length: no_of_points). + * @return 0 on success, non-zero on failure. + */ int convert_units(const int old_unit, const int new_unit, const int material, const int no_of_points, const float *old_values, float *new_values); -#endif + +#endif // DEDX_TOOLS_H_INCLUDED diff --git a/libdedx/dedx_wrappers.h b/libdedx/dedx_wrappers.h index 37720a4..2e4a645 100644 --- a/libdedx/dedx_wrappers.h +++ b/libdedx/dedx_wrappers.h @@ -1,31 +1,103 @@ #ifndef DEDX_WRAPPERS_INCLUDED #define DEDX_WRAPPERS_INCLUDED +/** + * @file dedx_wrappers.h + * @brief Convenience wrappers for common libdedx operations. + * + * These functions handle workspace allocation internally and are suitable + * for one-off queries. For repeated evaluations use the core API in dedx.h. + */ + #include #include #include "dedx.h" +/** @brief Fill an array with all supported program identifiers. + * @param[out] program_list Caller-allocated array; must be large enough to + * hold all programs (use dedx_get_program_list() to + * determine the count). + */ void dedx_fill_program_list(int *program_list); +/** @brief Fill an array with all materials supported by a program. + * @param[in] program Program identifier. + * @param[out] material_list Caller-allocated array of material identifiers. + */ void dedx_fill_material_list(int program, int *material_list); +/** @brief Fill an array with all ions supported by a program. + * @param[in] program Program identifier. + * @param[out] ion_list Caller-allocated array of ion identifiers. + */ void dedx_fill_ion_list(int program, int *ion_list); +/** @brief Evaluate stopping power at arbitrary energy points. + * + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @param[in] target Target material identifier. + * @param[in] no_of_points Number of energy points. + * @param[in] energies Array of energies in MeV/u (length: no_of_points). + * @param[out] stps Array to receive stopping powers in MeV cm²/g. + * @return 0 on success, non-zero error code on failure. + */ int dedx_get_stp_table( const int program, const int ion, const int target, const int no_of_points, const float *energies, float *stps); +/** @brief One-call stopping power evaluation for a specific program. + * + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @param[in] target Target material identifier. + * @param[in] energy Kinetic energy in MeV/u. + * @param[out] err Error code; 0 on success. + * @return Mass stopping power in MeV cm²/g. + */ float dedx_get_simple_stp_for_program(const int program, const int ion, const int target, float energy, int *err); +/** @brief Return the number of tabulated data points for a program/ion/target. + * + * Use this to allocate arrays for dedx_fill_default_energy_stp_table(). + * + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @param[in] target Target material identifier. + * @return Number of data points, or 0 if not supported. + */ int dedx_get_stp_table_size(const int program, const int ion, const int target); +/** @brief Fill arrays with the default (tabulated) energy and stopping power values. + * + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @param[in] target Target material identifier. + * @param[out] energies Array to receive energies in MeV/u. + * @param[out] stps Array to receive stopping powers in MeV cm²/g. + * @return Number of points filled, or negative error code on failure. + */ int dedx_fill_default_energy_stp_table( const int program, const int ion, const int target, float *energies, float *stps); +/** @brief Compute CSDA ranges at arbitrary energy points. + * + * The Continuous Slowing Down Approximation (CSDA) range is the path length + * a particle travels while losing all its kinetic energy. + * + * @param[in] program Program identifier. + * @param[in] ion Ion identifier. + * @param[in] target Target material identifier. + * @param[in] no_of_points Number of energy points. + * @param[in] energies Array of energies in MeV/u (length: no_of_points). + * @param[out] csda_ranges Array to receive CSDA ranges in g/cm². + * @return 0 on success, non-zero error code on failure. + */ int dedx_get_csda_range_table(const int program, const int ion, const int target, const int no_of_points, const float *energies, double *csda_ranges); + #endif // DEDX_WRAPPERS_INCLUDED diff --git a/python/CMakeLists.txt b/python/CMakeLists.txt index 351bb9b..032f928 100644 --- a/python/CMakeLists.txt +++ b/python/CMakeLists.txt @@ -37,7 +37,7 @@ if(DO_PYTHON_BINDINGS) COMMAND echo " description = \\'Wrapper for stopping power library libdedx\\'," >> setup.py COMMAND echo " author = \\'Jakob Toftegaard\\'," >> setup.py COMMAND echo " author_email = \\'jakob.toftegaard@gmail.com\\'," >> setup.py - COMMAND echo " url = \\'http://libdedx.sourceforge.net/\\'," >> setup.py + COMMAND echo " url = \\'https://github.com/APTG/libdedx\\'," >> setup.py COMMAND echo " long_description = \\'\\'," >> setup.py COMMAND echo " ext_modules = [module1]\\)" >> setup.py COMMAND echo "" >> setup.py From 044e688bc6a7e93d986fcecf48c24bfd76bb1601 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 23:13:20 +0100 Subject: [PATCH 5/8] remove old wxwidgets GUI, fix clang format --- gui/Makefile | 12 ---- gui/dropdown/prog.cpp | 22 -------- gui/dropdown/prog.h | 10 ---- gui/dropdown/target.cpp | 11 ---- gui/dropdown/target.h | 10 ---- gui/main | Bin 657094 -> 0 bytes gui/main.cpp | 19 ------- gui/mainMenu.cpp | 12 ---- gui/mainMenu.h | 14 ----- gui/mainframe.cpp | 34 ------------ gui/mainframe.h | 16 ------ libdedx/dedx.h | 118 ++++++++++++++++++++-------------------- 12 files changed, 58 insertions(+), 220 deletions(-) delete mode 100644 gui/Makefile delete mode 100644 gui/dropdown/prog.cpp delete mode 100644 gui/dropdown/prog.h delete mode 100644 gui/dropdown/target.cpp delete mode 100644 gui/dropdown/target.h delete mode 100755 gui/main delete mode 100644 gui/main.cpp delete mode 100644 gui/mainMenu.cpp delete mode 100644 gui/mainMenu.h delete mode 100644 gui/mainframe.cpp delete mode 100644 gui/mainframe.h diff --git a/gui/Makefile b/gui/Makefile deleted file mode 100644 index 63ed8d0..0000000 --- a/gui/Makefile +++ /dev/null @@ -1,12 +0,0 @@ -CC = g++ -CFLAGS = -g -LFLAGS = -ldedx `wx-config --libs` `wx-config --cxxflags` -codefiles = main.cpp mainframe.cpp mainMenu.cpp dropdown/target.cpp dropdown/prog.cpp - -out: main - ./main -main: $(codefiles) - $(CC) $(CFLAGS) $(codefiles) -o main $(LFLAGS) - -clean: - rm -f *.o main diff --git a/gui/dropdown/prog.cpp b/gui/dropdown/prog.cpp deleted file mode 100644 index 9b4a11b..0000000 --- a/gui/dropdown/prog.cpp +++ /dev/null @@ -1,22 +0,0 @@ -#include "prog.h" -extern "C" { -#include -} -#include -#include -#include - -DropDownProgram::DropDownProgram(wxWindow *parent) : wxComboBox(parent, -1, _("Pick Target")) { - const int *prog_id; - prog_id = dedx_get_program_list(); - int i = 0; - while (prog_id[i] != -1) { - wxString text = wxString() << prog_id[i]; - text << _(":\t\t"); - const char *name = dedx_get_program_name(prog_id[i]); - wxString n = wxString(name, wxConvUTF8); - text << n; - this->Append(text); - i++; - } -} diff --git a/gui/dropdown/prog.h b/gui/dropdown/prog.h deleted file mode 100644 index 6a6a3b6..0000000 --- a/gui/dropdown/prog.h +++ /dev/null @@ -1,10 +0,0 @@ -#ifndef DEDXGUI_DROPDOWN_PROGRAM_INCLUDED -#define DEDXGUI_DROPDOWN_PROGRAM_INCLUDED - -#include -#include -class DropDownProgram : public wxComboBox { - public: - DropDownProgram(wxWindow *parent); -}; -#endif diff --git a/gui/dropdown/target.cpp b/gui/dropdown/target.cpp deleted file mode 100644 index cb6d7c2..0000000 --- a/gui/dropdown/target.cpp +++ /dev/null @@ -1,11 +0,0 @@ -#include "target.h" - -#include -#include - -#include "dedx.h" - -DropDownTarget::DropDownTarget(wxWindow *parent) : wxComboBox(parent, -1, _("Pick Target")) { - - this->Append(_("Water")); -} diff --git a/gui/dropdown/target.h b/gui/dropdown/target.h deleted file mode 100644 index 16c1108..0000000 --- a/gui/dropdown/target.h +++ /dev/null @@ -1,10 +0,0 @@ -#ifndef DEDXGUI_DROPDOWN_TARGET_INCLUDED -#define DEDXGUI_DROPDOWN_TARGET_INCLUDED - -#include -#include -class DropDownTarget : public wxComboBox { - public: - DropDownTarget(wxWindow *parent); -}; -#endif diff --git a/gui/main b/gui/main deleted file mode 100755 index 0a899becef9c825e2cffea91af331b8825a19f4f..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 657094 zcmbrn34Bw<`aXVI3KT?%h+0u0ARr=QQlJ#v(hUm~h@~K)NK+c1SlZYH3W`Q>p;R>D z#>IQJ;s#u=)*VqHR5o!dxS>}iB47%r6}ea3F8}v=XHN3wkoxua`5&F0JkNR0J2UUR 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-#include "mainframe.h" -#include "wx/wx.h" - -class MyApp : public wxApp { - virtual bool OnInit(); -}; - -IMPLEMENT_APP(MyApp) - -bool MyApp::OnInit() { - MainFrame *frame = new MainFrame(_("dEdx"), wxPoint(200, 200), wxSize(450, 340)); - frame->Show(true); - SetTopWindow(frame); - return true; -} diff --git a/gui/mainMenu.cpp b/gui/mainMenu.cpp deleted file mode 100644 index dab2352..0000000 --- a/gui/mainMenu.cpp +++ /dev/null @@ -1,12 +0,0 @@ -#include "mainMenu.h" - -#include -MainMenu::MainMenu() : wxMenuBar() { - wxMenu *menuFile = new wxMenu; - - menuFile->Append(ID_About, _("&About...")); - menuFile->AppendSeparator(); - menuFile->Append(ID_Quit, _("E&xit")); - - this->Append(menuFile, _("&File")); -} diff --git a/gui/mainMenu.h b/gui/mainMenu.h deleted file mode 100644 index 78b9aa5..0000000 --- a/gui/mainMenu.h +++ /dev/null @@ -1,14 +0,0 @@ -#ifndef DEDXGUI_MAINMENU_INCLUDED -#define DEDXGUI_MAINMENU_INCLUDED -#include - -enum { - ID_Quit = 1, - ID_About, -}; - -class MainMenu : public wxMenuBar { - public: - MainMenu(); -}; -#endif diff --git a/gui/mainframe.cpp b/gui/mainframe.cpp deleted file mode 100644 index 89ac04f..0000000 --- a/gui/mainframe.cpp +++ /dev/null @@ -1,34 +0,0 @@ -#include "mainframe.h" - -#include "dropdown/prog.h" -#include "dropdown/target.h" -#include "mainMenu.h" - -BEGIN_EVENT_TABLE(MainFrame, wxFrame) -EVT_MENU(ID_Quit, MainFrame::OnQuit) -EVT_MENU(ID_About, MainFrame::OnAbout) -END_EVENT_TABLE() - -MainFrame::MainFrame(const wxString &title, const wxPoint &pos, const wxSize &size) - : wxFrame(NULL, -1, title, pos, size) { - SetMenuBar(new MainMenu()); - wxPanel *panel = new wxPanel(this, -1); - - DropDownProgram *comboBox = new DropDownProgram(panel); - CreateStatusBar(); - SetStatusText(_("dEdx running")); -} - -void MainFrame::OnQuit(wxCommandEvent &WXUNUSED(event)) { - Close(TRUE); -} - -void MainFrame::OnAbout(wxCommandEvent &WXUNUSED(event)) { - wxMessageBox(_("Welcome to dEdx a frontend for libdEdx \nlibdEdx was written by Jakob Toftegaard and Niels Bassler " - "at the Dept. of Physics and Astronomy and Dept. of Experimental Clinical Oncology with support " - "from Armin Lühr, Helge Knudsen and David C. Hansen.\nWe do not claim any correctness of the " - "produced results, any use of these data are at own risk."), - _("About dEdx"), - wxOK | wxICON_INFORMATION, - this); -} diff --git a/gui/mainframe.h b/gui/mainframe.h deleted file mode 100644 index 069056c..0000000 --- a/gui/mainframe.h +++ /dev/null @@ -1,16 +0,0 @@ -#ifndef DEDXGUI_MAINFRAME_INCLUDED -#define DEDXGUI_MAINFRAME_INCLUDED - -#include - -class MainFrame : public wxFrame { - public: - MainFrame(const wxString &title, const wxPoint &pos, const wxSize &size); - - void OnQuit(wxCommandEvent &event); - void OnAbout(wxCommandEvent &event); - - DECLARE_EVENT_TABLE() -}; - -#endif diff --git a/libdedx/dedx.h b/libdedx/dedx.h index 8ce4478..75ad2a9 100644 --- a/libdedx/dedx.h +++ b/libdedx/dedx.h @@ -31,17 +31,17 @@ * @{ */ enum { - DEDX_ASTAR = 1, /**< NIST ASTAR — alpha particle stopping powers */ - DEDX_PSTAR, /**< NIST PSTAR — proton stopping powers */ - DEDX_ESTAR, /**< NIST ESTAR — electron stopping powers (not fully supported) */ - DEDX_MSTAR, /**< MSTAR — stopping powers for heavier ions */ - DEDX_ICRU73_OLD, /**< ICRU Report 73 (2005), older parametrization */ - DEDX_ICRU73, /**< ICRU Report 73 (2005) */ - DEDX_ICRU49, /**< ICRU Report 49 (1993) — protons and alpha particles */ - _DEDX_0008, /**< Reserved */ - DEDX_ICRU, /**< Auto-selects ICRU49 or ICRU73 based on ion type */ + DEDX_ASTAR = 1, /**< NIST ASTAR — alpha particle stopping powers */ + DEDX_PSTAR, /**< NIST PSTAR — proton stopping powers */ + DEDX_ESTAR, /**< NIST ESTAR — electron stopping powers (not fully supported) */ + DEDX_MSTAR, /**< MSTAR — stopping powers for heavier ions */ + DEDX_ICRU73_OLD, /**< ICRU Report 73 (2005), older parametrization */ + DEDX_ICRU73, /**< ICRU Report 73 (2005) */ + DEDX_ICRU49, /**< ICRU Report 49 (1993) — protons and alpha particles */ + _DEDX_0008, /**< Reserved */ + DEDX_ICRU, /**< Auto-selects ICRU49 or ICRU73 based on ion type */ DEDX_DEFAULT = 100, /**< Default program (Bethe formula) */ - DEDX_BETHE_EXT00 /**< Bethe formula with extensions */ + DEDX_BETHE_EXT00 /**< Bethe formula with extensions */ }; /** @} */ @@ -49,9 +49,11 @@ enum { * @defgroup states Material aggregate states * @{ */ -enum { DEDX_DEFAULT_STATE = 0, /**< Default state (normal state of aggregation) */ - DEDX_GAS, /**< Force gas state */ - DEDX_CONDENSED }; /**< Force condensed state */ +enum { + DEDX_DEFAULT_STATE = 0, /**< Default state (normal state of aggregation) */ + DEDX_GAS, /**< Force gas state */ + DEDX_CONDENSED /**< Force condensed state */ +}; /** @} */ /** @@ -72,12 +74,16 @@ enum { /** @} */ /** - * @defgroup ions Ion identifiers - * @brief Atomic number (Z) based identifiers for projectile ions. - * Elements 1–98 correspond to their atomic number. + * @defgroup ions_and_materials Ion and material identifiers + * @brief Identifiers for projectile ions and target materials. + * + * Elemental ions (Z=1–98) correspond to their atomic number. + * Compound materials follow sequentially after the elements. + * Both share a single enum to preserve the numeric ID mapping. * @{ */ enum { + /* --- Elemental ions (Z = atomic number) --- */ DEDX_HYDROGEN = 1, DEDX_HELIUM, DEDX_LITHIUM, @@ -177,16 +183,8 @@ enum { DEDX_CURIUM, DEDX_BERKELIUM, DEDX_CALIFORNIUM, -}; -/** @} */ -/** - * @defgroup materials Material (target) identifiers - * @brief Identifiers for compound and elemental target materials. - * Based on the NIST material database. - * @{ - */ -enum { + /* --- Compound and mixture targets (NIST material database) --- */ DEDX_A150_TISSUE_EQUIVALENT_PLASTIC, DEDX_ACETONE, DEDX_ACETYLENE, @@ -368,32 +366,32 @@ enum { DEDX_WATER_VAPOR, DEDX_XYLENE }; -/** @} */ +/** @} */ /* ions_and_materials */ /** @defgroup special_ions Special particle identifiers * @brief Identifiers for particles that do not map directly to atomic number. * @{ */ -#define DEDX_PROTON 1 /**< Proton (Z=1, same as DEDX_HYDROGEN) */ -#define DEDX_ELECTRON 1001 /**< Electron */ -#define DEDX_POSITRON 1002 /**< Positron */ -#define DEDX_PIMINUS 1003 /**< Pi minus */ -#define DEDX_PIPLUS 1004 /**< Pi plus */ -#define DEDX_PIZERO 1005 /**< Pi zero */ +#define DEDX_PROTON 1 /**< Proton (Z=1, same as DEDX_HYDROGEN) */ +#define DEDX_ELECTRON 1001 /**< Electron */ +#define DEDX_POSITRON 1002 /**< Positron */ +#define DEDX_PIMINUS 1003 /**< Pi minus */ +#define DEDX_PIPLUS 1004 /**< Pi plus */ +#define DEDX_PIZERO 1005 /**< Pi zero */ #define DEDX_ANTIPROTON 1006 /**< Antiproton */ /** @} */ /** @defgroup aliases Common material aliases * @{ */ -#define DEDX_WATER DEDX_WATER_LIQUID -#define DEDX_AIR DEDX_AIR_DRY_NEAR_SEA_LEVEL -#define DEDX_PMMA DEDX_LUCITE_PERSPEX_PMMA -#define DEDX_PERSPEX DEDX_LUCITE_PERSPEX_PMMA -#define DEDX_LUCITE DEDX_LUCITE_PERSPEX_PMMA -#define DEDX_TEFLON DEDX_POLYTETRAFLUOROETHYLENE +#define DEDX_WATER DEDX_WATER_LIQUID +#define DEDX_AIR DEDX_AIR_DRY_NEAR_SEA_LEVEL +#define DEDX_PMMA DEDX_LUCITE_PERSPEX_PMMA +#define DEDX_PERSPEX DEDX_LUCITE_PERSPEX_PMMA +#define DEDX_LUCITE DEDX_LUCITE_PERSPEX_PMMA +#define DEDX_TEFLON DEDX_POLYTETRAFLUOROETHYLENE #define DEDX_CONCRETE DEDX_CONCRETE_PORTLAND -#define DEDX_CAESIUM DEDX_CESIUM +#define DEDX_CAESIUM DEDX_CESIUM /** @} */ /** @brief Translate a numeric error code to a human-readable string. @@ -549,27 +547,27 @@ void dedx_free_workspace(dedx_workspace *workspace, int *err); * - @c rho — required for Bethe-type programs (DEDX_BETHE_EXT00) */ typedef struct { - int cfg_id; /**< Configuration ID assigned by dedx_load_config(); do not set. */ - int program; /**< Stopping power program (e.g. DEDX_PSTAR). Required. */ - int target; /**< Target material identifier, or 0 for custom compound. */ - int ion; /**< Projectile ion identifier (e.g. DEDX_PROTON). Required. */ - int ion_a; /**< Nucleon number of projectile (set automatically). */ - int bragg_used; /**< 1 if Bragg additivity rule was applied; set by library. */ - int compound_state; /**< Aggregate state: DEDX_DEFAULT, DEDX_GAS, or DEDX_CONDENSED. */ - - unsigned int elements_length; /**< Number of elements in custom compound. */ - unsigned int loaded; /**< 1 if configuration has been loaded; set by library. */ - int *elements_id; /**< Atomic numbers (Z) of each element in compound. */ - int *elements_atoms; /**< Number of atoms per formula unit for each element. */ - char mstar_mode; /**< MSTAR mode: DEDX_MSTAR_MODE_DEFAULT or A–H. */ - float i_value; /**< Mean excitation potential of target in eV. */ - float _temp_i_value; /**< Internal: temporary I-value for Bethe calculation. */ - float rho; /**< Target density in g/cm³ (required for DEDX_BETHE_EXT00). */ - float *elements_mass_fraction; /**< Mass fractions of each element (alternative to atoms). */ - float *elements_i_value; /**< I-values of individual elements in eV. */ - const char *target_name; /**< Resolved target name; set by library. */ - const char *ion_name; /**< Resolved ion name; set by library. */ - const char *program_name; /**< Resolved program name; set by library. */ + int cfg_id; /**< Configuration ID assigned by dedx_load_config(); do not set. */ + int program; /**< Stopping power program (e.g. DEDX_PSTAR). Required. */ + int target; /**< Target material identifier, or 0 for custom compound. */ + int ion; /**< Projectile ion identifier (e.g. DEDX_PROTON). Required. */ + int ion_a; /**< Nucleon number of projectile (set automatically). */ + int bragg_used; /**< 1 if Bragg additivity rule was applied; set by library. */ + int compound_state; /**< Aggregate state: DEDX_DEFAULT, DEDX_GAS, or DEDX_CONDENSED. */ + + unsigned int elements_length; /**< Number of elements in custom compound. */ + unsigned int loaded; /**< 1 if configuration has been loaded; set by library. */ + int *elements_id; /**< Atomic numbers (Z) of each element in compound. */ + int *elements_atoms; /**< Number of atoms per formula unit for each element. */ + char mstar_mode; /**< MSTAR mode: DEDX_MSTAR_MODE_DEFAULT or A–H. */ + float i_value; /**< Mean excitation potential of target in eV. */ + float _temp_i_value; /**< Internal: temporary I-value for Bethe calculation. */ + float rho; /**< Target density in g/cm³ (required for DEDX_BETHE_EXT00). */ + float *elements_mass_fraction; /**< Mass fractions of each element (alternative to atoms). */ + float *elements_i_value; /**< I-values of individual elements in eV. */ + const char *target_name; /**< Resolved target name; set by library. */ + const char *ion_name; /**< Resolved ion name; set by library. */ + const char *program_name; /**< Resolved program name; set by library. */ } dedx_config; /** @brief Load a stopping power configuration into the workspace. From 716338a71e9150be18072d66dbd945df5f667989 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 23:21:17 +0100 Subject: [PATCH 6/8] cmake: remove all legacy include_directories / link_directories --- CMakeLists.txt | 3 --- buildbins/CMakeLists.txt | 2 -- examples/CMakeLists.txt | 2 -- libdedx/CMakeLists.txt | 5 +++++ tests/CMakeLists.txt | 2 -- 5 files changed, 5 insertions(+), 9 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 1162179..4587baa 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -51,9 +51,6 @@ configure_file( "${PROJECT_BINARY_DIR}/dedx_config.h" ) -include_directories("${PROJECT_SOURCE_DIR}/libdedx") -include_directories("${PROJECT_BINARY_DIR}") -link_directories("${PROJECT_SOURCE_DIR}/libdedx") option(DEDX_BUILD_BINARY_TABLE "Build the binary data tables (requires a working install of libdedx data)" ON) if(DEDX_BUILD_BINARY_TABLE) add_subdirectory(buildbins) diff --git a/buildbins/CMakeLists.txt b/buildbins/CMakeLists.txt index 8a75228..7b29ddd 100644 --- a/buildbins/CMakeLists.txt +++ b/buildbins/CMakeLists.txt @@ -1,5 +1,3 @@ -include_directories ("${PROJECT_SOURCE_DIR}") - # here we create `dedx_build_bin` executable which builds *.bin files from *.dat files add_executable(dedx_build_bin dedx_build_bin.c) target_link_libraries (dedx_build_bin dedx) diff --git a/examples/CMakeLists.txt b/examples/CMakeLists.txt index 4a6cbf9..fa81083 100644 --- a/examples/CMakeLists.txt +++ b/examples/CMakeLists.txt @@ -1,5 +1,3 @@ -include_directories ("${PROJECT_SOURCE_DIR}") - add_executable(dedx_example dedx_example.c) add_executable(getdedx dedx_get.c) add_executable(dedx_list dedx_list.c) diff --git a/libdedx/CMakeLists.txt b/libdedx/CMakeLists.txt index 12e0227..dcab99f 100644 --- a/libdedx/CMakeLists.txt +++ b/libdedx/CMakeLists.txt @@ -4,6 +4,11 @@ set(dedx_data data/ASTAR.bin data/astarEng.dat data/mstarEng.dat data/pstarEng.b set(dedx_data_bin data/ASTAR.bin data/astarEng.bin data/ICRU73.bin data/icru73Eng.bin data/ICRU73_NEW.bin data/icru73_newEng.bin data/MSTAR.bin data/mstarEng.bin data/PSTAR.bin data/ICRU_PSTAR.bin data/ICRU_ASTAR.bin data/pstarEng.bin data/betheEng.bin data/icru_astarEng.bin data/icru_pstarEng.bin data/compos.txt data/effective_charge.dat data/short_names data/composition data/gas_states.dat data/atima_compos) add_library(dedx STATIC dedx_tools.c dedx_bethe.c dedx.c dedx_wrappers.c dedx_file_access.c dedx_file.c dedx_mpaul.c dedx_mstar.c dedx_spline.c dedx_split.c dedx_periodic_table.c tools/dedx_math.c dedx_validate.c) + +target_include_directories(dedx PUBLIC + "${PROJECT_SOURCE_DIR}/libdedx" + "${PROJECT_BINARY_DIR}" +) # removed math_dedx.h # removed dedx_atima.c diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt index cbce4f3..fbc9007 100644 --- a/tests/CMakeLists.txt +++ b/tests/CMakeLists.txt @@ -1,5 +1,3 @@ -include_directories("${PROJECT_SOURCE_DIR}") - # ---- New-style tests: one file per physics program ---- # Each test_*.c has its own main() and returns number of failures. # Adding a new program test is as simple as adding a test_.c file. From a7867fda0b061ec072b5346206c99ae5a0ba9b17 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 23:28:11 +0100 Subject: [PATCH 7/8] add clang-tidy --- .clang-tidy | 20 ++++++++++++++++++++ .github/workflows/clang-tidy.yml | 26 ++++++++++++++++++++++++++ 2 files changed, 46 insertions(+) create mode 100644 .clang-tidy create mode 100644 .github/workflows/clang-tidy.yml diff --git a/.clang-tidy b/.clang-tidy new file mode 100644 index 0000000..9fbf24c --- /dev/null +++ b/.clang-tidy @@ -0,0 +1,20 @@ +# clang-tidy configuration for libdedx +# +# Enabled check groups: +# clang-analyzer-* Clang's own inter-procedural static analyzer (high confidence) +# bugprone-* Common bug patterns in C code +# +# Disabled individually: +# bugprone-easily-swappable-parameters too noisy for physics code (many float params) +# clang-analyzer-security.insecureAPI.* flags printf/strcpy family — too noisy for now + +Checks: >- + clang-analyzer-*, + bugprone-*, + -bugprone-easily-swappable-parameters, + -clang-analyzer-security.insecureAPI.DeprecatedOrUnsafeBufferHandling + +WarningsAsErrors: '*' + +# Only report issues in our own headers, not system or third-party ones +HeaderFilterRegex: '(libdedx|tests|examples|buildbins)/' diff --git a/.github/workflows/clang-tidy.yml b/.github/workflows/clang-tidy.yml new file mode 100644 index 0000000..cdae156 --- /dev/null +++ b/.github/workflows/clang-tidy.yml @@ -0,0 +1,26 @@ +name: clang-tidy + +on: + push: + pull_request: + +jobs: + clang-tidy: + runs-on: ubuntu-24.04 + steps: + - uses: actions/checkout@v4 + + - name: Install clang-tidy-19 + run: | + sudo apt-get update + sudo apt-get install -y clang-tidy-19 + + - name: Configure (generates compile_commands.json) + run: cmake -S . -B build + + - name: Run clang-tidy + run: | + run-clang-tidy-19 \ + -p build \ + -header-filter='(libdedx|tests|examples|buildbins)/' \ + '(libdedx|tests|examples|buildbins)/.*\.c$' From fa1fbecbfc0fe6428c4fb2d88cfe02795d4078d1 Mon Sep 17 00:00:00 2001 From: Niels Bassler Date: Sat, 28 Mar 2026 23:39:49 +0100 Subject: [PATCH 8/8] Update clang-tidy configuration: refine checks and adjust workflow triggers --- .clang-tidy | 7 ++++++- .github/workflows/clang-tidy.yml | 6 ++++-- 2 files changed, 10 insertions(+), 3 deletions(-) diff --git a/.clang-tidy b/.clang-tidy index 9fbf24c..2f519d3 100644 --- a/.clang-tidy +++ b/.clang-tidy @@ -12,7 +12,12 @@ Checks: >- clang-analyzer-*, bugprone-*, -bugprone-easily-swappable-parameters, - -clang-analyzer-security.insecureAPI.DeprecatedOrUnsafeBufferHandling + -bugprone-narrowing-conversions, + -bugprone-reserved-identifier, + -bugprone-branch-clone, + -bugprone-switch-missing-default-case, + -clang-analyzer-security.insecureAPI.DeprecatedOrUnsafeBufferHandling, + -clang-analyzer-security.insecureAPI.strcpy WarningsAsErrors: '*' diff --git a/.github/workflows/clang-tidy.yml b/.github/workflows/clang-tidy.yml index cdae156..9017f96 100644 --- a/.github/workflows/clang-tidy.yml +++ b/.github/workflows/clang-tidy.yml @@ -1,8 +1,10 @@ name: clang-tidy +# Automatic triggering is disabled until the findings logged in the clang-tidy tracking issue +# are resolved. The workflow can still be run manually from the Actions tab via workflow_dispatch. +# To re-enable: replace the trigger below with `on: [push, pull_request]`. on: - push: - pull_request: + workflow_dispatch: jobs: clang-tidy: