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.