Commit 0cd9134c authored by Henderson, Shane's avatar Henderson, Shane
Browse files

Merge branch 'verboseJSONkeys' into 'master' 

First pass verbose json keys

See merge request neams/saline!30
parents a3e40350 66b06f8d

.gitlab-ci.yml

+16 −9
Original line number Diff line number Diff line
@@ -12,23 +12,25 @@ stages: 


build_macos:

  stage: build

  rules:

    - when: manual

  variables:

    GIT_SUBMODULE_STRATEGY: normal

  tags:

    - macOS

  script:

    - source $HOME/spack/share/spack/setup-env.sh

    - spack env activate saline

    - pip install delocate

    - ls "$CI_PROJECT_DIR/.."

    - cat "$CI_PROJECT_DIR/../saline_venv/bin/activate"

    - source "$CI_PROJECT_DIR/../saline_venv/bin/activate"

    - cmake -S $CI_PROJECT_DIR -B "$CI_PROJECT_DIR/build" -DCMAKE_BUILD_TYPE=RELEASE

      -Dsaline_ENABLE_Fortran=ON -DCMAKE_Fortran_FLAGS:STRING="-ffree-line-length-none"

      -Dsaline_ENABLE_Python=ON -DCMAKE_OSX_DEPLOYMENT_TARGET=11.0 -Dsaline_ENABLE_hdf5=ON

      -DPython_EXECUTABLE=`which python`

      -Dsaline_ENABLE_Python=ON -DCMAKE_OSX_DEPLOYMENT_TARGET=11.0

      -DPython_EXECUTABLE="/opt/homebrew/bin/python3.9" -DCMAKE_POLICY_VERSION_MINIMUM=3.5

    - cmake --build "$CI_PROJECT_DIR/build"

    - cmake --build "$CI_PROJECT_DIR/build" --target SalinePy_wheel

    - ctest --test-dir "$CI_PROJECT_DIR/build"

    - cmake --install build --prefix install

    - delocate-wheel -w ${CI_PROJECT_DIR}/install/wheelhouse ${CI_PROJECT_DIR}/build/src/python/dist/salinepy*.whl

    - /Users/gitlab-runner/Library/Python/3.9/bin/delocate-wheel -w ${CI_PROJECT_DIR}/install/wheelhouse ${CI_PROJECT_DIR}/build/src/python/dist/salinepy*.whl

    - tar -czf darwin_arm.tar.gz install

  artifacts:

    name: darwin
@@ -73,9 +75,14 @@ build_linux: 
  tags:

    - docker

  script:

    - cmake -S $CI_PROJECT_DIR -B build -DCMAKE_BUILD_TYPE=RELEASE

      -Dsaline_ENABLE_Fortran=ON -DCMAKE_Fortran_FLAGS:STRING="-ffree-line-length-none"

      -Dsaline_ENABLE_Python=ON -Dsaline_ENABLE_hdf5=ON

    - cmake

      -S $CI_PROJECT_DIR

      -B build

      -D CMAKE_BUILD_TYPE=RELEASE

      -D saline_ENABLE_Fortran=ON

      -D CMAKE_Fortran_FLAGS:STRING="-ffree-line-length-none"

      -D saline_ENABLE_Python=ON

      -D saline_ENABLE_hdf5=ON

    - cmake --build "$CI_PROJECT_DIR/build"

    - cmake --build "$CI_PROJECT_DIR/build" --target SalinePy_wheel

    - ctest --test-dir build --output-on-failure

.gitmodules

+1 −1
Original line number Diff line number Diff line 
[submodule "thirdparty/nlohmann_json"]

	path = thirdparty/nlohmann_json

	url = https://github.com/nlohmann/json.git
 
	url = https://code.ornl.gov/oxh/nlohmann_json.git

include/default_data_store.hh

+19 −11
Original line number Diff line number Diff line
@@ -17,7 +17,6 @@ 
#include <string>

#include <vector>



#include <nlohmann/json.hpp>

#ifdef SALINE_USE_HDF5

#include <hdf5.h>

#endif
@@ -154,12 +153,9 @@ public: 
  std::size_t constituent_count(Id id) const;



  void load(const std::string &fPath);

  [[deprecated("Use from_json(std::istream& inFile) instead.")]]

  void from_json(std::istream &inFile);

  [[deprecated("Use load(std::string &fPath) instead with a file path instead.")]]

  void load(std::istream &inFile);

  void from_json(nlohmann::json);

#ifdef SALINE_USE_HDF5

  void from_h5(hid_t file);

#endif



  View setView(const Vec_Name &names, const Vec_Mole &mole_percents);
@@ -180,7 +176,7 @@ public: 
  // The list accessible salt names

  Vec_Name getSaltKeys() const;

  std::vector<std::vector<double>> getSaltComps(Vec_Name names) const;

  void to_json(nlohmann::json &j) const;

  std::string to_json() const;



private:

  class Data {
@@ -205,7 +201,9 @@ private: 


    // surface tension

    double surfaceTension(double t) const { return m_st_a - (m_st_b * t); }

    double surfaceTension_h(double h) const { return surfaceTension(h_to_t(h)); }

    double surfaceTension_h(double h) const {

      return surfaceTension(h_to_t(h));

    }

    bool valid_surfaceTension() const { return st_a() != 0.0; }

    double surfaceTension_unc() const { return m_st_unc; }

    std::string surfaceTension_ref() const { return m_st_ref; }
@@ -294,6 +292,7 @@ private: 
    double m_melt_unc = 0.0;

    DataQualifier m_melt_unc_qualifier;

    std::string m_melt_ref;

    std::string m_melt_doi;



    // Molecular Weight

    double m_mole_weight;
@@ -304,6 +303,7 @@ private: 
    double m_boil_unc = 0.0;

    DataQualifier m_boil_unc_qualifier;

    std::string m_boil_ref;

    std::string m_boil_doi;



    // density

    double m_rho_a = 0.0;
@@ -312,6 +312,7 @@ private: 
    DataQualifier m_rho_unc_qualifier;

    std::pair<double, double> m_rho_rng;

    std::string m_rho_ref;

    std::string m_rho_doi;



    // viscosity

    double m_mu_a = 0.0;
@@ -321,6 +322,7 @@ private: 
    DataQualifier m_mu_unc_qualifier;

    std::pair<double, double> m_mu_rng;

    std::string m_mu_ref;

    std::string m_mu_doi;



    // conductivity

    double m_k_a = 0.0;
@@ -329,6 +331,7 @@ private: 
    DataQualifier m_k_unc_qualifier;

    std::pair<double, double> m_k_rng;

    std::string m_k_ref;

    std::string m_k_doi;



    // specific heat

    double m_cp_a = 0.0;
@@ -339,6 +342,7 @@ private: 
    DataQualifier m_cp_unc_qualifier;

    std::pair<double, double> m_cp_rng;

    std::string m_cp_ref;

    std::string m_cp_doi;



    // surface tension

    double m_st_a = 0.0;
@@ -347,6 +351,7 @@ private: 
    DataQualifier m_st_unc_qualifier;

    std::pair<double, double> m_st_rng;

    std::string m_st_ref;

    std::string m_st_doi;



    // enthalpy to temperature table

    std::vector<double> m_h;
@@ -358,7 +363,7 @@ private: 
    double m_e;

  };



  void to_json(nlohmann::json &j, Data &d) const;

  std::string to_json(Data &d) const;

  using Vec_Data = std::vector<Data>;

  struct Compound {

    Vec_Name names;
@@ -375,6 +380,9 @@ private: 
  std::vector<Compound> compounds;



  // >>> ACCESSORS

#ifdef SALINE_USE_HDF5

  void from_h5(hid_t file);

#endif



  // calculate the enthalpy interpolation tables as a function of temperature

  void setup_enthalpy_tables();

include/r_kister_data_store.hh

+6 −7
Original line number Diff line number Diff line
@@ -36,12 +36,9 @@ public: 


  // >>> CONSTRUCTORS

  R_Kister_Data_Store();

  void from_json(std::istream &inFile);

  void load(const std::string &fPath);



  void from_json(nlohmann::json json_in);

#ifdef SALINE_USE_HDF5

  void from_h5(hid_t file);

#endif

  [[deprecated("Use load(const std::string& fPath) to load a json instead.")]]

  void load(const std::string &rkDens, const std::string &rkVisc,

            const std::string &dfPath);
@@ -149,7 +146,7 @@ public: 
  Vec_Name getSaltKeys() const;

  std::vector<std::vector<double>> getSaltComps(Vec_Name names) const;



  void to_json(nlohmann::json &j) const;

  std::string to_json() const;



private:

  // Data_Store providing the base information
@@ -182,10 +179,12 @@ private: 
  rk_model m_mu;

  rk_model m_cp;

  rk_model m_k;

  nlohmann::json rk_to_json(rk_model m) const;

  void parse_poly_node(RK_Polynomial &poly, nlohmann::json j);



  std::string rk_to_json(rk_model m) const;

  // >>> ACCESSORS

#ifdef SALINE_USE_HDF5

  void from_h5(hid_t file);

#endif



  // calculate the enthalpy interpolation tables as a function of temperature

  void setup_enthalpy_tables();

src/cpp/default_data_store.cc

+182 −147

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