# {py:mod}`chemparseplot.plot.neb` ```{py:module} chemparseplot.plot.neb ``` ```{autodoc2-docstring} chemparseplot.plot.neb :allowtitles: ``` ## Module Contents ### Classes ````{list-table} :class: autosummary longtable :align: left * - {py:obj}`SmoothingParams ` - ```{autodoc2-docstring} chemparseplot.plot.neb.SmoothingParams :summary: ``` ```` ### Functions ````{list-table} :class: autosummary longtable :align: left * - {py:obj}`render_structure_to_image ` - ```{autodoc2-docstring} chemparseplot.plot.neb.render_structure_to_image :summary: ``` * - {py:obj}`plot_structure_strip ` - ```{autodoc2-docstring} chemparseplot.plot.neb.plot_structure_strip :summary: ``` * - {py:obj}`plot_structure_inset ` - ```{autodoc2-docstring} chemparseplot.plot.neb.plot_structure_inset :summary: ``` * - {py:obj}`plot_energy_path ` - ```{autodoc2-docstring} chemparseplot.plot.neb.plot_energy_path :summary: ``` * - {py:obj}`plot_eigenvalue_path ` - ```{autodoc2-docstring} chemparseplot.plot.neb.plot_eigenvalue_path :summary: ``` * - {py:obj}`_augment_minima_points ` - ```{autodoc2-docstring} chemparseplot.plot.neb._augment_minima_points :summary: ``` * - {py:obj}`_augment_with_gradients ` - ```{autodoc2-docstring} chemparseplot.plot.neb._augment_with_gradients :summary: ``` * - {py:obj}`plot_landscape_surface ` - ```{autodoc2-docstring} chemparseplot.plot.neb.plot_landscape_surface :summary: ``` * - {py:obj}`plot_landscape_path_overlay ` - ```{autodoc2-docstring} chemparseplot.plot.neb.plot_landscape_path_overlay :summary: ``` ```` ### Data ````{list-table} :class: autosummary longtable :align: left * - {py:obj}`log ` - ```{autodoc2-docstring} chemparseplot.plot.neb.log :summary: ``` * - {py:obj}`InsetImagePos ` - ```{autodoc2-docstring} chemparseplot.plot.neb.InsetImagePos :summary: ``` * - {py:obj}`MIN_PATH_LENGTH ` - ```{autodoc2-docstring} chemparseplot.plot.neb.MIN_PATH_LENGTH :summary: ``` ```` ### API ````{py:data} log :canonical: chemparseplot.plot.neb.log :value: > 'getLogger(...)' ```{autodoc2-docstring} chemparseplot.plot.neb.log ``` ```` ````{py:data} InsetImagePos :canonical: chemparseplot.plot.neb.InsetImagePos :value: > 'namedtuple(...)' ```{autodoc2-docstring} chemparseplot.plot.neb.InsetImagePos ``` ```` `````{py:class} SmoothingParams :canonical: chemparseplot.plot.neb.SmoothingParams ```{autodoc2-docstring} chemparseplot.plot.neb.SmoothingParams ``` ````{py:attribute} window_length :canonical: chemparseplot.plot.neb.SmoothingParams.window_length :type: int :value: > 5 ```{autodoc2-docstring} chemparseplot.plot.neb.SmoothingParams.window_length ``` ```` ````{py:attribute} polyorder :canonical: chemparseplot.plot.neb.SmoothingParams.polyorder :type: int :value: > 2 ```{autodoc2-docstring} chemparseplot.plot.neb.SmoothingParams.polyorder ``` ```` ````` ````{py:data} MIN_PATH_LENGTH :canonical: chemparseplot.plot.neb.MIN_PATH_LENGTH :value: > 1e-06 ```{autodoc2-docstring} chemparseplot.plot.neb.MIN_PATH_LENGTH ``` ```` ````{py:function} render_structure_to_image(atoms, zoom, rotation) :canonical: chemparseplot.plot.neb.render_structure_to_image ```{autodoc2-docstring} chemparseplot.plot.neb.render_structure_to_image ``` ```` ````{py:function} plot_structure_strip(ax, atoms_list, labels, zoom=0.3, rotation='0x,90y,0z', theme_color='black', max_cols=6) :canonical: chemparseplot.plot.neb.plot_structure_strip ```{autodoc2-docstring} chemparseplot.plot.neb.plot_structure_strip ``` ```` ````{py:function} plot_structure_inset(ax, atoms, x, y, xybox, rad, zoom=0.4, rotation='0x,90y,0z', arrow_props=None) :canonical: chemparseplot.plot.neb.plot_structure_inset ```{autodoc2-docstring} chemparseplot.plot.neb.plot_structure_inset ``` ```` ````{py:function} plot_energy_path(ax, rc, energy, f_para, color, alpha, zorder, method='hermite', smoothing=None) :canonical: chemparseplot.plot.neb.plot_energy_path ```{autodoc2-docstring} chemparseplot.plot.neb.plot_energy_path ``` ```` ````{py:function} plot_eigenvalue_path(ax, rc, eigenvalue, color, alpha, zorder, grid_color='white') :canonical: chemparseplot.plot.neb.plot_eigenvalue_path ```{autodoc2-docstring} chemparseplot.plot.neb.plot_eigenvalue_path ``` ```` ````{py:function} _augment_minima_points(rmsd_r, rmsd_p, z_data, radius=0.01, dE=0.02, num_pts=12) :canonical: chemparseplot.plot.neb._augment_minima_points ```{autodoc2-docstring} chemparseplot.plot.neb._augment_minima_points ``` ```` ````{py:function} _augment_with_gradients(r, p, z, gr, gp, epsilon=0.05) :canonical: chemparseplot.plot.neb._augment_with_gradients ```{autodoc2-docstring} chemparseplot.plot.neb._augment_with_gradients ``` ```` ````{py:function} plot_landscape_surface(ax, rmsd_r, rmsd_p, grad_r, grad_p, z_data, step_data=None, method='grad_matern', rbf_smooth=None, cmap='viridis', show_pts=True) :canonical: chemparseplot.plot.neb.plot_landscape_surface ```{autodoc2-docstring} chemparseplot.plot.neb.plot_landscape_surface ``` ```` ````{py:function} plot_landscape_path_overlay(ax, r, p, z, cmap, z_label) :canonical: chemparseplot.plot.neb.plot_landscape_path_overlay ```{autodoc2-docstring} chemparseplot.plot.neb.plot_landscape_path_overlay ``` ````