26a27,63 > > /*! A list of several protein density value references that have been proposed in the literature. > * These constants are meant to be used with the set_used_protein_density() function to set the > * protein density to one of these reference values > * - HARPAZ and al (1994) Computed value 0.826446=1/1.21 Da/A3 > * - ANDERSSON and Hovmšller (1998) Computed value 1.22 g/cm3 ~ 0.7347 Da/A3 > * - TSAI et al. (1999) Computed value 1.40 g/cm3 ~ 0.84309 Da/A3 > * - QUILLIN and Matthews (2000) Computed value 1.43 g/cm3 ~ 0.86116 Da/A3 > * - SQUIRE and Himmel (1979), Gekko and Noguchi (1979) Experimental value 1.37 g/cm3 ~ 0.82503 Da/A3 > */ > IMPEMEXPORT enum ProteinDensityReference { > HARPAZ, > ANDERSSON, > TSAI, > QUILLIN, > SQUIRE > } ; > > /*! returns the protein density value used for internal computations (in kDa/Angstrom^3) > */ > IMPEMEXPORT double get_used_protein_density(); > > //! sets the protein density value used for internal computations > /*! sets the protein density value used for internal computations > * \param[in] densityValue : the protein density value that we wish to use in our computations (in kDa/Angstrom^3) > */ > IMPEMEXPORT double set_used_protein_density(double densityValue); > > //! sets the protein density value used for internal computations > /*! sets the protein density value used for internal computations > * \param[in] densityValue : a reference protein density value that we wish to > * use in our computations (in kDa/Angstrom^3). > * > * See ProteinDensityReference for authorized values. > */ > IMPEMEXPORT double set_used_protein_density(ProteinDensityReference densityValue); > 58,59c95,98 < //! < /** --- > > //! Compute an approximate molecular mass > /** Compute an approximate molecular mass for the set of voxels with intensity > * under a given threshold 62c101,104 < \note The method assumes 1.21 cubic A per dalton (Harpaz 1994). --- > \return an approximate molecular mass for the set of voxels with intensity > under the provided threshold (mass in Da) > \note By default, the method assumes 1.21 cubic A per dalton (Harpaz 1994). > this constant can be modified through the set_used_protein_density function. 65a108,124 > //! Computes the threshold consider in an EM map to get a desired volume > /** Computes the threshold consider in an EM map to get a desired volume > * (i.e, the set of voxels with intensity greater than the threshold occupies that volume) > \param[in] m a density map > \param[in] desiredVolume (in A^3) > */ > IMPEMEXPORT Float compute_threshold_for_approximate_volume(DensityMap* m, Float desiredVolume); > > //! Computes the threshold to consider in an EM map to get a desired mass > /** Computes the threshold to consider in an EM map to get a desired mass > * (only voxels with intensity greater than the threshold are considered) > \param[in] m a density map > \param[in] desiredMass (in Da) > \note By default, the method assumes 1.21 cubic A per dalton (Harpaz 1994). > this constant can be modified through the set_used_protein_density function. > */ > IMPEMEXPORT Float compute_threshold_for_approximate_mass(DensityMap* m, Float desiredMass);