schrodinger.trajectory.trajectory_gui_dir.playback_settings_data module¶

class schrodinger.trajectory.trajectory_gui_dir.playback_settings_data.Loop(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶

Bases: enum.Enum

Holds enums for Playback loop

NONE = 'once'¶

SINGLE = 'loop'¶

OSCILLATE = 'reverse'¶

class schrodinger.trajectory.trajectory_gui_dir.playback_settings_data.Direction(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶

Bases: enum.Enum

Holds enums for Playback direction

FORWARD = 0¶

BACKWARD = 1¶

class schrodinger.trajectory.trajectory_gui_dir.playback_settings_data.AVPAslOption(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶

Bases: enum.Enum

Holds enums for ‘Align on’/’Center on’

PROTEIN = 0¶

LIGAND_PLUS_BINDING_SITE = 1¶

LIGAND = 2¶

MOLECULE_1 = 3¶

CUSTOM_SELECTION = 4¶

class schrodinger.trajectory.trajectory_gui_dir.playback_settings_data.PlaybackSettingsData(proj, eid, frame_total, matsci_profile: bool)¶

Bases: object

This class holds all the Playback Settings. Reads from entry id and writes back when modified.

DEFAULT_START_FRAME = 1¶

MIN_FRAME_DURATION = 0.01¶

MAX_FRAME_DURATION = 3.0¶

MIN_STEP = 1¶

MIN_REF_FRAME = 1¶

MIN_REPLICATE = 1¶

MAX_REPLICATE = 5¶

SETTINGS_DICT = {'adjust_view_position': 'b_m_hidden_adjust_view_position', 'avp_align_on_frame': 'b_m_hidden_superimpose', 'avp_asl': 's_m_hidden_trajectory_position_asl', 'avp_asl_option': 'i_m_hidden_avp_asl_option', 'avp_center_molecules': 'b_m_hidden_center', 'avp_ref_frame': 'i_m_hidden_reference_frame', 'binding_site_radius': 'i_m_hidden_binding_site_radius', 'direction': 'i_m_hidden_player_direction', 'display_only': 'b_m_hidden_show_specified_atoms', 'display_only_option': 'i_m_hidden_display_only_option', 'frame_duration': 'r_m_hidden_frame_duration', 'ha_beyond_binding_site': 'b_m_hidden_ha_beyond_binding_site', 'ha_nonpolar_hydrogens': 'b_m_hidden_ha_nonpolar_hydrogens', 'ha_protein_only': 'b_m_hidden_ha_protein_only', 'ha_solvents_only': 'b_m_hidden_ha_solvents_only', 'include_vector_lengths': 'b_m_hidden_include_vector_lengths', 'loop': 's_m_hidden_player_mode', 'matching_asl': 's_m_hidden_trajectory_display_asl', 'replicate_x': 'i_m_hidden_replicate_a', 'replicate_y': 'i_m_hidden_replicate_b', 'replicate_z': 'i_m_hidden_replicate_c', 'show_simulation_box': 'b_m_hidden_show_simulation_box', 'smoothing': 'i_m_hidden_smoothing', 'step': 'i_m_hidden_step', 'translate_to_first_unit_cell': 'b_m_hidden_translate_to_first_unit_cell', 'update_secondary_structure': 'b_m_hidden_update_secondary_structure'}¶

FRAME_SETTINGS_DICT = {'current_frame': ('i_chorus_frame', 'start_frame'), 'end_frame': ('i_m_hidden_end_frame', 'frame_total'), 'start_frame': ('i_m_hidden_start_frame', 'DEFAULT_START_FRAME')}¶

__init__(proj, eid, frame_total, matsci_profile: bool)¶

Parameters

proj (Project) – Project from which entry’s PlaybackSettingsData need to be created.
eid (int or str) – Entry Id for which PlaybackSettingsData has to be created.
frame_total (int) – Total number of frames in the trajectory.
matsci_profile – Whether current maestro profile is MatSci. It is used to set default state of playback settings options.

resetSettings(show_simbox_default: bool)¶

Reset settings to default values

Parameters: show_simbox_default – Indicates the default state of show simulation box.

readSettings()¶: Reads the settings from entry and sets to the object, if appropriate. Otherwise, sets default setting value and writes it to entry.

getMaxStep()¶: Returns maximum allowed step based on the end & start frames

isValidStep()¶: Whether current step is valid.

setToMinStep()¶: Set step to minimum

writeSettings()¶: Write settings to entry.

readFrameSettings()¶: Read frame settings according to FRAME_SETTINGS_DICT.

getAVPAsl() → str¶: Return ‘Adjust view positioning’ Asl based on ‘View Position’ settings.