schrodinger.maestro_utils.surface_manager.surface_info module

class schrodinger.maestro_utils.surface_manager.surface_info.SurfaceInfo(entry_id: int = None, surface_name: str = None, surface_visible: bool = False, volume_based: bool = False, volume_name: str = None, volume_visible: bool = None, use_view_by_asl: bool = False, view_asl: str = None, distance: float = None, surface_area: float = None, isovalue: float = None, sigma: float = None, active_grid_size: float = None, use_active_grid: bool = False, comment: str = None, surface_type: str = None, is_paired_surface: bool = False, style: Style = None, overlay_transparency: int = 0, underside_transparency: int = 0, color_scheme: ColorBy = ColorBy.source_color, surface_color: Color = None, paired_surface_color: Color = None, volume_bounding_box_visible: bool = False, volume_color_map_visible: bool = False, map_min: float = 0.0, map_max: float = 0.0, scheme_volume: str = None, color_ramp_name: str = None, show_legend: bool = False, volume_map_min: float = 0.0, volume_map_max: float = 0.0, esp_color_ramp_name: str = None, esp_min: float = None, esp_max: float = None, min_isovalue: float = None, max_isovalue: float = None, negative_min_isovalue: float = None, negative_max_isovalue: float = None, negative_isovalue: float = None)

Bases: object

Data class holding information about a particular surface.

Variables:

  • entry_id – Entry ID of the surface.

  • surface_name – Name of the surface.

  • surface_visible – Boolean indicating whether the surface is visible.

  • volume_based – Boolean indicating whether the surface is volume-based.

  • volume_name – Name of the volume.

  • volume_visible – Boolean indicating whether the volume is visible.

  • view_asl – ASL expression for the surface view.

  • distance – The distance between the atoms in the ASL and the outermost atoms to be displayed.

  • surface_area – Area of the surface.

  • isovalue – Isovalue of the surface if it is volume-based.

  • sigma – Sigma of the surface if it is volume-based.

  • active_grid_size – Active grid size of the surface if it is volume-based.

  • comment – Comment associated with the surface.

  • surface_type – Type of the surface.

  • min_isovalue – Minimum isovalue of the surface if it is volume-based.

  • max_isovalue – Maximum isovalue of the surface if it is volume-based.

  • negative_min_isovalue – Minimum isovalue of the paired surface if it exists.

  • negative_max_isovalue – Maximum isovalue of the paired surface if it exists.

  • negative_isovalue – Isovalue of the paired surface if it exists.

  • is_paired_surface – Boolean indicating whether the surface has a paired surface.

entry_id: int = None
surface_name: str = None
surface_visible: bool = False
volume_based: bool = False
volume_name: str = None
volume_visible: bool = None
use_view_by_asl: bool = False
view_asl: str = None
distance: float = None
surface_area: float = None
isovalue: float = None
sigma: float = None
active_grid_size: float = None
use_active_grid: bool = False
comment: str = None
surface_type: str = None
is_paired_surface: bool = False
style: Style = None
overlay_transparency: int = 0
underside_transparency: int = 0
color_scheme: ColorBy = 'Color'
surface_color: Color = None
paired_surface_color: Color = None
volume_bounding_box_visible: bool = False
volume_color_map_visible: bool = False
map_min: float = 0.0
map_max: float = 0.0
scheme_volume: str = None
color_ramp_name: str = None
show_legend: bool = False
volume_map_min: float = 0.0
volume_map_max: float = 0.0
esp_color_ramp_name: str = None
esp_min: float = None
esp_max: float = None
min_isovalue: float = None
max_isovalue: float = None
negative_min_isovalue: float = None
negative_max_isovalue: float = None
negative_isovalue: float = None
classmethod getSurfaceInfo(surface_node_item: SurfaceNodeItem, project: Project) → SurfaceInfo

Get surface info object from a surface node item.

Parameters:

  • surface_node_item – The surface node item.

  • project – The project containing the surface.

Returns:

Corresponding surface info object.

__init__(entry_id: int = None, surface_name: str = None, surface_visible: bool = False, volume_based: bool = False, volume_name: str = None, volume_visible: bool = None, use_view_by_asl: bool = False, view_asl: str = None, distance: float = None, surface_area: float = None, isovalue: float = None, sigma: float = None, active_grid_size: float = None, use_active_grid: bool = False, comment: str = None, surface_type: str = None, is_paired_surface: bool = False, style: Style = None, overlay_transparency: int = 0, underside_transparency: int = 0, color_scheme: ColorBy = ColorBy.source_color, surface_color: Color = None, paired_surface_color: Color = None, volume_bounding_box_visible: bool = False, volume_color_map_visible: bool = False, map_min: float = 0.0, map_max: float = 0.0, scheme_volume: str = None, color_ramp_name: str = None, show_legend: bool = False, volume_map_min: float = 0.0, volume_map_max: float = 0.0, esp_color_ramp_name: str = None, esp_min: float = None, esp_max: float = None, min_isovalue: float = None, max_isovalue: float = None, negative_min_isovalue: float = None, negative_max_isovalue: float = None, negative_isovalue: float = None) → None