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int | num_bonds (int i) |
| number of distinct pair(s) of atoms in selection
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int | num_angles (int i) |
| number of distinct triplet(s) of atoms in selection
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int | num_dihedrals (int i) |
| number of distinct quadruplet(s) of atoms in selection
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int | read_atom_a (FILE *fp, project *this_proj, int s, int a) |
| read atom properties from file (a)
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int | read_atom_b (FILE *fp, project *this_proj, int s, int a) |
| read atom properties from file (b)
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int | read_opengl_image (FILE *fp, project *this_proj, image *img, int sid) |
| read OpenGL image properties from file
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int | read_project_curve (FILE *fp, int wid, int pid) |
| read a project curve from file
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int | read_mol (FILE *fp) |
| read molecule(s) information from file
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int | read_bonding (FILE *fp) |
| read bonding information from file
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int | read_dlp_field_data (FILE *fp, project *this_proj) |
| read force field data from file
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int | read_lmp_field_data (FILE *fp, project *this_proj) |
| read LAMMPS field data from file
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int | read_cpmd_data (FILE *fp, int cid, project *this_proj) |
| read CPMD data from file
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int | read_cp2k_data (FILE *fp, int cid, project *this_proj) |
| read CP2K data from file
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gchar * | read_this_string (FILE *fp) |
| is there a string to read in this file ? yes do it
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void | alloc_proj_data (project *this_proj, int cid) |
| allocate data
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int | open_project (FILE *fp, int wid) |
| open atomes project file
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int | save_atom_a (FILE *fp, project *this_proj, int s, int a) |
| save atom data to file (a)
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int | save_opengl_image (FILE *fp, project *this_proj, image *img, int sid) |
| save OpenGL image properties to file
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int | save_project_curve (FILE *fp, int wid, project *this_proj, int rid, int cid) |
| save project curve to file
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int | save_dlp_field_data (FILE *fp, project *this_proj) |
| save force field data to file
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int | save_lmp_field_data (FILE *fp, project *this_proj) |
| save LAMMPS force field data to file
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int | save_cpmd_data (FILE *fp, int cid, project *this_proj) |
| save CPMD data to file
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int | save_cp2k_data (FILE *fp, int cid, project *this_proj) |
| save CP2K data to file
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int | save_this_string (FILE *fp, gchar *string) |
| save string to file
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int | save_mol (FILE *fp, project *this_proj) |
| save molecule information to file
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int | save_bonding (FILE *fp, project *this_proj) |
| save bonding information to file
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int | save_project (FILE *fp, project *this_proj, int wid) |
| save project to file
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G_MODULE_EXPORT void | set_color_map (GtkWidget *widg, gpointer data) |
| set color map callback
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int * | save_color_map (glwin *view) |
| save atoms and polyhedra color maps
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void | restore_color_map (glwin *view, int *colm) |
| restore saved color maps
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colormap * | allocate_color_map (int pts, project *this_proj) |
| allocate custom color map data
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gboolean | setup_custom_color_map (float *data, project *this_proj, gboolean init) |
| prepare the custom color map data
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G_MODULE_EXPORT gboolean | edit_tab (GtkWidget *widget, GdkEventButton *event, gpointer fdata) |
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void | init_curves_and_calc (project *this_proj) |
| for a project reset analysis, curves, data to not performed
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void | init_project (gboolean alloc_box) |
| initialize a new project
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int | update_project () |
| update project: send data to Fortran90, and update calculation interactors
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void | clean_view () |
| clean the main window
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void | view_buffer (GtkTextBuffer *buffer) |
| set a text buffer in the main window or an image
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void | update_insert_combos () |
| update some GtkComboBox in the workspace if a project is removed
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void | close_project (project *to_close) |
| close a project
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void | to_close_this_project (int to_activate, project *this_proj) |
| to close this project
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void | hide_current_project (project *to_hide) |
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void | active_project_changed (int id) |
| change the active project
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void | opengl_project_changed (int id) |
| change the OpenGL project
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G_MODULE_EXPORT void | on_close_activate (GtkWidget *widg, gpointer cdata) |
| signal to close a project
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void | add_project () |
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void | debugiocurve (project *this_proj, gboolean win, int rid, int cid, gchar *iost) |
| debug and print some info about the curves in a project
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void | debugioproj (project *this_proj, gchar *iost) |
| debug project info
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Function declarations for reading atomes project file
Function declarations for saving atomes project file.
- Author
- Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r
Definition in file project.h.