dx2 - Clean C++ implementation of dxtbx data model

Quick Start

• Ensure you have an environment with CMake and compilers available (see requirements.txt)
• Dependencies:
  • HDF5 (Required)
  • gemmi (Required)
  • Eigen (Optional, downloaded if missing)
  • nlohmann/json (Optional, downloaded if missing)
  • {fmt} (Optional, downloaded if missing)
  • GoogleTest (Optional, downloaded if missing)

mkdir build
cd build
cmake ..

You can then build with make, and run a test with ./tests/test_crystal.

You can enable debugging printout by setting the DX2_DEBUG environment variable before running.

Writing And Running Tests

See https://google.github.io/googletest/primer.html. The tests subdirectory has an example test.

You can run test executables directly, run ctest, or run make test (or via your preferred build tool).

Using dx2 from other projects

Option 1: Already installed into the environment

In which case the normal CMake package finding should work:

Option 2: As a subdirectory/submodule

If you want to integrate dx2 development into your current project, you can check dx2 out into a subfolder (or submodule) of your build, and include it with:

add_subdirectory(path/to/dx2)

Option 3: Automatically use with FetchContent

If you don't need to develop dx2 but just want to use it, you can get CMake to automatically download and include it in your project with:

include(FetchContent)
FetchContent_Declare(
    dx2
    GIT_REPOSITORY git@github.com:dials/dx2.git
    GIT_TAG main
    FIND_PACKAGE_ARGS
)
FetchContent_MakeAvailable(dx2)

...

# Example adding to a target
target_link_libraries(my-target PUBLIC dx2)