<filename>crystal_toolkit/apps/main.py
import logging
import os
from ast import literal_eval
from random import choice
from time import time
from typing import Optional
from urllib import parse
from uuid import uuid4

import dash
import sentry_sdk
from dash.dependencies import Input, Output, State
from dash.exceptions import PreventUpdate
from flask_caching import Cache
from monty.serialization import loadfn
from pymatgen.core import __version__ as pmg_version
from pymatgen.ext.matproj import MPRester

import crystal_toolkit.components as ctc
from crystal_toolkit import __file__ as module_path
from crystal_toolkit.core.mpcomponent import MPComponent
from crystal_toolkit.helpers.layouts import *
from crystal_toolkit.settings import SETTINGS

# choose a default structure on load
path = os.path.join(os.path.dirname(module_path), "apps/assets/task_ids_on_load.json")
DEFAULT_MPIDS = loadfn(path)

################################################################################
# region SET UP APP
################################################################################

meta_tags = [  # TODO: add og-image, etc., title
    {
        "name": "description",
        "content": "Crystal Toolkit allows you to import, view, analyze and transform "
        "crystal structures and molecules using the full power of the Materials "
        "Project.",
    }
]

print("SETTINGS")
for setting, value in SETTINGS:
    print(f"{setting}: {value}")

if not SETTINGS.ASSETS_PATH:
    warnings.warn(
        "Set CRYSTAL_TOOLKIT_ASSETS environment variable or app will be unstyled."
    )

external_scripts = []
if not SETTINGS.DEBUG_MODE:
    # MathJax support
    external_scripts.append(
        "https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.4/MathJax.js?config=TeX-MML-AM_CHTML"
    )

app = dash.Dash(
    __name__,
    meta_tags=meta_tags,
    assets_folder=SETTINGS.ASSETS_PATH,
    external_scripts=external_scripts,
    prevent_initial_callbacks=False,
    title="Crystal Toolkit",
    update_title=None,
)
app.scripts.config.serve_locally = True

# Materials Project embed mode
if not SETTINGS.MP_EMBED_MODE:
    app.config["assets_ignore"] = r".*\.mpembed\..*"
    box_size = "65vmin"
else:
    # reduce zoom level and box size due to iframe on materialsproject.org
    ctc.StructureMoleculeComponent.default_scene_settings["defaultZoom"] = 0.5
    box_size = "50vmin"


app.server.secret_key = str(uuid4())
server = app.server

# logging of errors
if SETTINGS.SENTRY_DSN:
    sentry_sdk.init(SETTINGS.SENTRY_DSN)

# endregion
###########


################################################################################
# region SET UP CACHE
################################################################################

if SETTINGS.DEBUG_MODE:
    # disable cache in debug
    cache = Cache(app.server, config={"CACHE_TYPE": "null"})
else:
    cache = Cache(
        app.server,
        config={
            "CACHE_TYPE": "redis",
            "CACHE_REDIS_URL": os.environ.get("REDIS_URL", SETTINGS.REDIS_URL),
        },
    )

# endregion


################################################################################
# region SET UP LOGGING
################################################################################

logger = logging.getLogger(app.title)

# endregion


################################################################################
# region INSTANTIATE CORE COMPONENTS
################################################################################

search_component = ctc.SearchComponent()
upload_component = ctc.StructureMoleculeUploadComponent()


transformation_component = ctc.AllTransformationsComponent(
    transformations=[
        "SupercellTransformationComponent",
        "AutoOxiStateDecorationTransformationComponent",
        "CubicSupercellTransformationComponent",
        "GrainBoundaryTransformationComponent",
        "MonteCarloRattleTransformationComponent",
        "SlabTransformationComponent",
        "SubstitutionTransformationComponent",
    ]
)

struct_component = ctc.StructureMoleculeComponent(
    links={"default": transformation_component.id()}
)

robocrys_panel = ctc.RobocrysComponent(links={"default": transformation_component.id()})
xrd_panel = ctc.DiffractionPanelComponent(
    links={"default": transformation_component.id()}
)
# pbx_component = ctc.PourbaixDiagramPanelComponent(origin_component=struct_component)
#
symmetry_panel = ctc.SymmetryPanel(links={"default": struct_component.id()})
localenv_panel = ctc.LocalEnvironmentPanel(
    links={
        "default": struct_component.id(),
        "graph": struct_component.id("graph"),
        "display_options": struct_component.id("display_options"),
    }
)

if SETTINGS.MP_EMBED_MODE:
    action_div = html.Div([])
    # submit_snl_panel = ctc.SubmitSNLPanel(origin_component=struct_component)
    # action_div = html.Div(
    #     [submit_snl_panel.panel_layout, download_component.panel_layout]
    # )
else:
    action_div = html.Div([struct_component.download_layout()])

panels = [
    symmetry_panel,
    localenv_panel,
    xrd_panel,
    robocrys_panel,
]


if SETTINGS.MP_EMBED_MODE:
    mp_section = (html.Div(),)
else:

    # bsdos_component = ctc.BandstructureAndDosPanelComponent(
    #     origin_component=search_component
    # )
    # # grain_boundary_panel = ctc.GrainBoundaryPanel(origin_component=search_component)
    # xas_component = ctc.XASPanelComponent(origin_component=search_component)
    # pd_component = ctc.PhaseDiagramPanelComponent(origin_component=struct_component)
    # literature_component = ctc.LiteratureComponent(origin_component=struct_component)
    #
    # mp_panels = [
    #     pd_component,
    #     pbx_component,
    #     magnetism_component,
    #     xas_component,
    #     bsdos_component,
    #     # grain_boundary_panel,
    #     literature_component,
    # ]

    mp_panels = []

    mp_section = (
        H3("Materials Project"),
        html.Div([panel.panel_layout() for panel in mp_panels], id="mp_panels"),
    )


body_layout = [
    html.Br(),
    H3("Transform"),
    html.Div([transformation_component.layout()]),
    html.Br(),
    H3("Analyze"),
    html.Div([panel.panel_layout() for panel in panels], id="panels"),
    # html.Br(),
    # *mp_section,
]

banner = html.Div(id="banner")
if SETTINGS.DEBUG_MODE:
    banner = html.Div(
        [
            html.Br(),
            MessageContainer(
                [
                    MessageHeader("Warning"),
                    MessageBody(
                        dcc.Markdown(
                            "The app is running in debug mode so will be slower than usual and error "
                            "messages may appear."
                        )
                    ),
                ],
                kind="warning",
            ),
        ],
        id="banner",
    )

api_offline, api_error = True, "Unknown error connecting to Materials Project API."
try:
    with MPRester() as mpr:
        api_check = mpr._make_request("/api_check")
    if not api_check.get("api_key_valid", False):
        api_error = (
            "Materials Project API key not supplied or not valid, "
            "please set PMG_MAPI_KEY in your environment."
        )
    else:
        api_offline = False
except Exception as exception:
    api_error = str(exception)
if api_offline:
    banner = html.Div(
        [
            html.Br(),
            MessageContainer(
                [
                    MessageHeader("Error: Cannot connect to Materials Project"),
                    MessageBody(api_error),
                ],
                kind="danger",
            ),
        ],
        id="banner",
    )


# endregion


################################################################################
# region CREATE OTHER LAYOUT ELEMENTS
################################################################################


footer = Footer(
    html.Div(
        [
            dcc.Markdown(
                f"App created by [Crystal Toolkit Development Team](https://github.com/materialsproject/crystaltoolkit/graphs/contributors).  \n"
                f"Bug reports and feature requests gratefully accepted, please send them to [@mkhorton](mailto:<EMAIL>).  \n"
                f"Powered by [The Materials Project](https://materialsproject.org), "
                f"[pymatgen v{pmg_version}](http://pymatgen.org) and "
                f"[Dash by Plotly](https://plot.ly/products/dash/). "
                f"Deployed on [Spin](http://www.nersc.gov/users/data-analytics/spin/)."
            )
        ],
        className="content has-text-centered",
    ),
    style={"padding": "1rem 1rem 1rem", "background-color": "inherit"},
)

panel_choices = dcc.Dropdown(
    options=[{"label": panel.title, "value": idx} for idx, panel in enumerate(panels)],
    multi=True,
    value=[idx for idx in range(len(panels))],
    id="panel-choices",
)

panel_description = dcc.Markdown(
    [
        "Crystal Toolkit offers various *panels* which each provide different ways "
        "of analyzing, transforming or retrieving information about a material using "
        "resources and tools available to The Materials Project. Some panels "
        "retrieve data or run algorithms on demand, so please allow some time "
        "for them to run. Explore these panels below."
    ],
    className="mpc-panel-description",
)


# endregion


################################################################################
# region  DEFINE MAIN LAYOUT
################################################################################

master_layout = Container(
    [
        dcc.Location(id="url", refresh=False),
        banner,
        Section(
            [
                Columns(
                    [
                        Column(
                            [
                                struct_component.title_layout(),
                                html.Div(style={"float": "right"}),
                            ]
                        )
                    ]
                ),
                Columns(
                    [
                        Column(
                            [
                                # TODO: test responsiveness of layout on phone
                                Loading(
                                    Box(
                                        struct_component.layout(size="100%"),
                                        style={
                                            "width": box_size,
                                            "height": box_size,
                                            "minWidth": "300px",
                                            "minHeight": "300px",
                                            "maxWidth": "600px",
                                            "maxHeight": "600px",
                                            "overflow": "hidden",
                                            "padding": "0.25rem",
                                            "marginBottom": "0.5rem",
                                        },
                                    )
                                ),
                                html.Div(
                                    [
                                        html.Div(
                                            struct_component.legend_layout(),
                                            style={"float": "left"},
                                        ),
                                        html.Div(
                                            [struct_component.screenshot_layout()],
                                            style={"float": "right"},
                                        ),
                                    ],
                                    style={
                                        "width": box_size,
                                        "minWidth": "300px",
                                        "marginBottom": "40px",
                                    },
                                ),
                            ],
                            narrow=True,
                        ),
                        Column(
                            [
                                Reveal(
                                    [
                                        search_component.layout(),
                                        upload_component.layout(),
                                    ],
                                    title="Load Crystal",
                                    open=True,
                                    style={"lineHeight": "1"},
                                    id="load",
                                ),
                                Reveal(
                                    [struct_component.options_layout()],
                                    title="Display Options",
                                    id="display-options",
                                ),
                                action_div,
                            ],
                            style={"width": box_size, "max-width": box_size},
                        ),
                    ],
                    desktop_only=False,
                    centered=False,
                ),
                Columns([Column(body_layout)]),
            ]
        ),
        Section(footer),
    ]
)

ctc.register_crystal_toolkit(layout=master_layout, app=app, cache=cache)

# endregion


################################################################################
# region SET UP APP-SPECIFIC CALLBACKS
################################################################################


@app.callback(Output(search_component.id("input"), "value"), [Input("url", "href")])
def update_search_term_on_page_load(href: str) -> str:
    """
    If an mpid is provided in the url, load that mpid. Otherwise
    load a random mpid from the DEFAULT_MPIDS global variable.

    Args:
        href: e.g. "http://localhost:8050/mp-11358"

    Returns: an mpid
    """
    if href is None:
        raise PreventUpdate
    pathname = str(parse.urlparse(href).path).split("/")
    if len(pathname) <= 1:
        raise PreventUpdate
    elif not pathname[1]:
        return choice(DEFAULT_MPIDS)
    else:
        return pathname[1].replace("+", " ")


@app.callback(
    [
        Output(search_component.id("input"), "n_submit"),
        Output(search_component.id("input"), "n_submit_timestamp"),
    ],
    [Input(search_component.id("input"), "value")],
    [State(search_component.id("input"), "n_submit")],
)
def perform_search_on_page_load(search_term: str, n_submit: Optional[int]):
    """
    Loading with an mpid in the URL requires populating the search term with
    the mpid, this callback forces that search to then take place by force updating
    n_submit and n_submit_timestamp props.

    Args:
        search_term: e.g. mp-11358
        n_submit:

    Returns: (1, time in ms since 1970)
    """
    # TODO: could be a client side callback
    if n_submit is None:
        return 1, int(round(time() * 1000))
    else:
        raise PreventUpdate


@app.callback(Output("url", "pathname"), [Input(search_component.id(), "data")])
def update_url_pathname_from_search_term(mpid: Optional[str]) -> str:
    """
    Updates the URL from the search term. Technically a circular callback,
    this is done to prevent the app seeming inconsistent from the end user.

    Args:
        mpid: mpid

    Returns: mpid
    """
    # TODO: could be a client side callback
    if mpid is None:
        raise PreventUpdate
    return mpid


@app.callback(
    Output(transformation_component.id("input_structure"), "data"),
    [Input(search_component.id(), "data"), Input(upload_component.id(), "data")],
)
def master_update_structure(search_mpid: Optional[str], upload_data: Optional[str]):
    """
    A new structure is loaded either from the search component or from the
    upload component. This callback triggers the update, and uses the callback
    context to determine which should take precedence if there is both a search
    term and uploaded data present.

    Args:
        search_mpid: e.g. "mp-11358"
        upload_data: output of upload component, {"data": ..., "error" ...}

    Returns: an encoded Structure
    """

    if not search_mpid and not upload_data:
        raise PreventUpdate

    if not dash.callback_context.triggered:
        raise PreventUpdate

    if len(dash.callback_context.triggered) > 1:
        # triggered by both on initial load
        load_by = "mpid"
    elif (
        dash.callback_context.triggered[0]["prop_id"] == search_component.id() + ".data"
    ):
        load_by = "mpid"
    else:
        load_by = "uploaded"

    upload_data = upload_data or {}

    if load_by == "mpid":

        if search_mpid is None:
            raise PreventUpdate

        with MPRester() as mpr:
            # TODO: add comprehensive fix to this in pymatgen
            try:
                struct = mpr.get_task_data(search_mpid, "structure")[0]["structure"]
                print("Struct from task.")
            except:
                struct = mpr.get_structure_by_material_id(search_mpid)
                print("Struct from material.")
    else:

        struct = MPComponent.from_data(upload_data["data"])

    return struct


# endregion

################################################################################
# Run server :-)
################################################################################


if __name__ == "__main__":
    app.run_server(debug=SETTINGS.DEBUG_MODE, port=8051)

<filename>crystal_toolkit/apps/main.py
import logging
import os
from ast import literal_eval
from random import choice
from time import time
from typing import Optional
from urllib import parse
from uuid import uuid4

import dash
import sentry_sdk
from dash.dependencies import Input, Output, State
from dash.exceptions import PreventUpdate
from flask_caching import Cache
from monty.serialization import loadfn
from pymatgen.core import __version__ as pmg_version
from pymatgen.ext.matproj import MPRester

import crystal_toolkit.components as ctc
from crystal_toolkit import __file__ as module_path
from crystal_toolkit.core.mpcomponent import MPComponent
from crystal_toolkit.helpers.layouts import *
from crystal_toolkit.settings import SETTINGS

# choose a default structure on load
path = os.path.join(os.path.dirname(module_path), "apps/assets/task_ids_on_load.json")
DEFAULT_MPIDS = loadfn(path)

################################################################################
# region SET UP APP
################################################################################

meta_tags = [  # TODO: add og-image, etc., title
    {
        "name": "description",
        "content": "Crystal Toolkit allows you to import, view, analyze and transform "
        "crystal structures and molecules using the full power of the Materials "
        "Project.",
    }
]

print("SETTINGS")
for setting, value in SETTINGS:
    print(f"{setting}: {value}")

if not SETTINGS.ASSETS_PATH:
    warnings.warn(
        "Set CRYSTAL_TOOLKIT_ASSETS environment variable or app will be unstyled."
    )

external_scripts = []
if not SETTINGS.DEBUG_MODE:
    # MathJax support
    external_scripts.append(
        "https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.4/MathJax.js?config=TeX-MML-AM_CHTML"
    )

app = dash.Dash(
    __name__,
    meta_tags=meta_tags,
    assets_folder=SETTINGS.ASSETS_PATH,
    external_scripts=external_scripts,
    prevent_initial_callbacks=False,
    title="Crystal Toolkit",
    update_title=None,
)
app.scripts.config.serve_locally = True

# Materials Project embed mode
if not SETTINGS.MP_EMBED_MODE:
    app.config["assets_ignore"] = r".*\.mpembed\..*"
    box_size = "65vmin"
else:
    # reduce zoom level and box size due to iframe on materialsproject.org
    ctc.StructureMoleculeComponent.default_scene_settings["defaultZoom"] = 0.5
    box_size = "50vmin"


app.server.secret_key = str(uuid4())
server = app.server

# logging of errors
if SETTINGS.SENTRY_DSN:
    sentry_sdk.init(SETTINGS.SENTRY_DSN)

# endregion
###########


################################################################################
# region SET UP CACHE
################################################################################

if SETTINGS.DEBUG_MODE:
    # disable cache in debug
    cache = Cache(app.server, config={"CACHE_TYPE": "null"})
else:
    cache = Cache(
        app.server,
        config={
            "CACHE_TYPE": "redis",
            "CACHE_REDIS_URL": os.environ.get("REDIS_URL", SETTINGS.REDIS_URL),
        },
    )

# endregion


################################################################################
# region SET UP LOGGING
################################################################################

logger = logging.getLogger(app.title)

# endregion


################################################################################
# region INSTANTIATE CORE COMPONENTS
################################################################################

search_component = ctc.SearchComponent()
upload_component = ctc.StructureMoleculeUploadComponent()


transformation_component = ctc.AllTransformationsComponent(
    transformations=[
        "SupercellTransformationComponent",
        "AutoOxiStateDecorationTransformationComponent",
        "CubicSupercellTransformationComponent",
        "GrainBoundaryTransformationComponent",
        "MonteCarloRattleTransformationComponent",
        "SlabTransformationComponent",
        "SubstitutionTransformationComponent",
    ]
)

struct_component = ctc.StructureMoleculeComponent(
    links={"default": transformation_component.id()}
)

robocrys_panel = ctc.RobocrysComponent(links={"default": transformation_component.id()})
xrd_panel = ctc.DiffractionPanelComponent(
    links={"default": transformation_component.id()}
)
# pbx_component = ctc.PourbaixDiagramPanelComponent(origin_component=struct_component)
#
symmetry_panel = ctc.SymmetryPanel(links={"default": struct_component.id()})
localenv_panel = ctc.LocalEnvironmentPanel(
    links={
        "default": struct_component.id(),
        "graph": struct_component.id("graph"),
        "display_options": struct_component.id("display_options"),
    }
)

if SETTINGS.MP_EMBED_MODE:
    action_div = html.Div([])
    # submit_snl_panel = ctc.SubmitSNLPanel(origin_component=struct_component)
    # action_div = html.Div(
    #     [submit_snl_panel.panel_layout, download_component.panel_layout]
    # )
else:
    action_div = html.Div([struct_component.download_layout()])

panels = [
    symmetry_panel,
    localenv_panel,
    xrd_panel,
    robocrys_panel,
]


if SETTINGS.MP_EMBED_MODE:
    mp_section = (html.Div(),)
else:

    # bsdos_component = ctc.BandstructureAndDosPanelComponent(
    #     origin_component=search_component
    # )
    # # grain_boundary_panel = ctc.GrainBoundaryPanel(origin_component=search_component)
    # xas_component = ctc.XASPanelComponent(origin_component=search_component)
    # pd_component = ctc.PhaseDiagramPanelComponent(origin_component=struct_component)
    # literature_component = ctc.LiteratureComponent(origin_component=struct_component)
    #
    # mp_panels = [
    #     pd_component,
    #     pbx_component,
    #     magnetism_component,
    #     xas_component,
    #     bsdos_component,
    #     # grain_boundary_panel,
    #     literature_component,
    # ]

    mp_panels = []

    mp_section = (
        H3("Materials Project"),
        html.Div([panel.panel_layout() for panel in mp_panels], id="mp_panels"),
    )


body_layout = [
    html.Br(),
    H3("Transform"),
    html.Div([transformation_component.layout()]),
    html.Br(),
    H3("Analyze"),
    html.Div([panel.panel_layout() for panel in panels], id="panels"),
    # html.Br(),
    # *mp_section,
]

banner = html.Div(id="banner")
if SETTINGS.DEBUG_MODE:
    banner = html.Div(
        [
            html.Br(),
            MessageContainer(
                [
                    MessageHeader("Warning"),
                    MessageBody(
                        dcc.Markdown(
                            "The app is running in debug mode so will be slower than usual and error "
                            "messages may appear."
                        )
                    ),
                ],
                kind="warning",
            ),
        ],
        id="banner",
    )

api_offline, api_error = True, "Unknown error connecting to Materials Project API."
try:
    with MPRester() as mpr:
        api_check = mpr._make_request("/api_check")
    if not api_check.get("api_key_valid", False):
        api_error = (
            "Materials Project API key not supplied or not valid, "
            "please set PMG_MAPI_KEY in your environment."
        )
    else:
        api_offline = False
except Exception as exception:
    api_error = str(exception)
if api_offline:
    banner = html.Div(
        [
            html.Br(),
            MessageContainer(
                [
                    MessageHeader("Error: Cannot connect to Materials Project"),
                    MessageBody(api_error),
                ],
                kind="danger",
            ),
        ],
        id="banner",
    )


# endregion


################################################################################
# region CREATE OTHER LAYOUT ELEMENTS
################################################################################


footer = Footer(
    html.Div(
        [
            dcc.Markdown(
                f"App created by [Crystal Toolkit Development Team](https://github.com/materialsproject/crystaltoolkit/graphs/contributors).  \n"
                f"Bug reports and feature requests gratefully accepted, please send them to [@mkhorton](mailto:<EMAIL>).  \n"
                f"Powered by [The Materials Project](https://materialsproject.org), "
                f"[pymatgen v{pmg_version}](http://pymatgen.org) and "
                f"[Dash by Plotly](https://plot.ly/products/dash/). "
                f"Deployed on [Spin](http://www.nersc.gov/users/data-analytics/spin/)."
            )
        ],
        className="content has-text-centered",
    ),
    style={"padding": "1rem 1rem 1rem", "background-color": "inherit"},
)

panel_choices = dcc.Dropdown(
    options=[{"label": panel.title, "value": idx} for idx, panel in enumerate(panels)],
    multi=True,
    value=[idx for idx in range(len(panels))],
    id="panel-choices",
)

panel_description = dcc.Markdown(
    [
        "Crystal Toolkit offers various *panels* which each provide different ways "
        "of analyzing, transforming or retrieving information about a material using "
        "resources and tools available to The Materials Project. Some panels "
        "retrieve data or run algorithms on demand, so please allow some time "
        "for them to run. Explore these panels below."
    ],
    className="mpc-panel-description",
)


# endregion


################################################################################
# region  DEFINE MAIN LAYOUT
################################################################################

master_layout = Container(
    [
        dcc.Location(id="url", refresh=False),
        banner,
        Section(
            [
                Columns(
                    [
                        Column(
                            [
                                struct_component.title_layout(),
                                html.Div(style={"float": "right"}),
                            ]
                        )
                    ]
                ),
                Columns(
                    [
                        Column(
                            [
                                # TODO: test responsiveness of layout on phone
                                Loading(
                                    Box(
                                        struct_component.layout(size="100%"),
                                        style={
                                            "width": box_size,
                                            "height": box_size,
                                            "minWidth": "300px",
                                            "minHeight": "300px",
                                            "maxWidth": "600px",
                                            "maxHeight": "600px",
                                            "overflow": "hidden",
                                            "padding": "0.25rem",
                                            "marginBottom": "0.5rem",
                                        },
                                    )
                                ),
                                html.Div(
                                    [
                                        html.Div(
                                            struct_component.legend_layout(),
                                            style={"float": "left"},
                                        ),
                                        html.Div(
                                            [struct_component.screenshot_layout()],
                                            style={"float": "right"},
                                        ),
                                    ],
                                    style={
                                        "width": box_size,
                                        "minWidth": "300px",
                                        "marginBottom": "40px",
                                    },
                                ),
                            ],
                            narrow=True,
                        ),
                        Column(
                            [
                                Reveal(
                                    [
                                        search_component.layout(),
                                        upload_component.layout(),
                                    ],
                                    title="Load Crystal",
                                    open=True,
                                    style={"lineHeight": "1"},
                                    id="load",
                                ),
                                Reveal(
                                    [struct_component.options_layout()],
                                    title="Display Options",
                                    id="display-options",
                                ),
                                action_div,
                            ],
                            style={"width": box_size, "max-width": box_size},
                        ),
                    ],
                    desktop_only=False,
                    centered=False,
                ),
                Columns([Column(body_layout)]),
            ]
        ),
        Section(footer),
    ]
)

ctc.register_crystal_toolkit(layout=master_layout, app=app, cache=cache)

# endregion


################################################################################
# region SET UP APP-SPECIFIC CALLBACKS
################################################################################


@app.callback(Output(search_component.id("input"), "value"), [Input("url", "href")])
def update_search_term_on_page_load(href: str) -> str:
    """
    If an mpid is provided in the url, load that mpid. Otherwise
    load a random mpid from the DEFAULT_MPIDS global variable.

    Args:
        href: e.g. "http://localhost:8050/mp-11358"

    Returns: an mpid
    """
    if href is None:
        raise PreventUpdate
    pathname = str(parse.urlparse(href).path).split("/")
    if len(pathname) <= 1:
        raise PreventUpdate
    elif not pathname[1]:
        return choice(DEFAULT_MPIDS)
    else:
        return pathname[1].replace("+", " ")


@app.callback(
    [
        Output(search_component.id("input"), "n_submit"),
        Output(search_component.id("input"), "n_submit_timestamp"),
    ],
    [Input(search_component.id("input"), "value")],
    [State(search_component.id("input"), "n_submit")],
)
def perform_search_on_page_load(search_term: str, n_submit: Optional[int]):
    """
    Loading with an mpid in the URL requires populating the search term with
    the mpid, this callback forces that search to then take place by force updating
    n_submit and n_submit_timestamp props.

    Args:
        search_term: e.g. mp-11358
        n_submit:

    Returns: (1, time in ms since 1970)
    """
    # TODO: could be a client side callback
    if n_submit is None:
        return 1, int(round(time() * 1000))
    else:
        raise PreventUpdate


@app.callback(Output("url", "pathname"), [Input(search_component.id(), "data")])
def update_url_pathname_from_search_term(mpid: Optional[str]) -> str:
    """
    Updates the URL from the search term. Technically a circular callback,
    this is done to prevent the app seeming inconsistent from the end user.

    Args:
        mpid: mpid

    Returns: mpid
    """
    # TODO: could be a client side callback
    if mpid is None:
        raise PreventUpdate
    return mpid


@app.callback(
    Output(transformation_component.id("input_structure"), "data"),
    [Input(search_component.id(), "data"), Input(upload_component.id(), "data")],
)
def master_update_structure(search_mpid: Optional[str], upload_data: Optional[str]):
    """
    A new structure is loaded either from the search component or from the
    upload component. This callback triggers the update, and uses the callback
    context to determine which should take precedence if there is both a search
    term and uploaded data present.

    Args:
        search_mpid: e.g. "mp-11358"
        upload_data: output of upload component, {"data": ..., "error" ...}

    Returns: an encoded Structure
    """

    if not search_mpid and not upload_data:
        raise PreventUpdate

    if not dash.callback_context.triggered:
        raise PreventUpdate

    if len(dash.callback_context.triggered) > 1:
        # triggered by both on initial load
        load_by = "mpid"
    elif (
        dash.callback_context.triggered[0]["prop_id"] == search_component.id() + ".data"
    ):
        load_by = "mpid"
    else:
        load_by = "uploaded"

    upload_data = upload_data or {}

    if load_by == "mpid":

        if search_mpid is None:
            raise PreventUpdate

        with MPRester() as mpr:
            # TODO: add comprehensive fix to this in pymatgen
            try:
                struct = mpr.get_task_data(search_mpid, "structure")[0]["structure"]
                print("Struct from task.")
            except:
                struct = mpr.get_structure_by_material_id(search_mpid)
                print("Struct from material.")
    else:

        struct = MPComponent.from_data(upload_data["data"])

    return struct


# endregion

################################################################################
# Run server :-)
################################################################################


if __name__ == "__main__":
    app.run_server(debug=SETTINGS.DEBUG_MODE, port=8051)

# choose a default structure on load ################################################################################ # region SET UP APP ################################################################################ # TODO: add og-image, etc., title # MathJax support # Materials Project embed mode # reduce zoom level and box size due to iframe on materialsproject.org # logging of errors # endregion ########### ################################################################################ # region SET UP CACHE ################################################################################ # disable cache in debug # endregion ################################################################################ # region SET UP LOGGING ################################################################################ # endregion ################################################################################ # region INSTANTIATE CORE COMPONENTS ################################################################################ # pbx_component = ctc.PourbaixDiagramPanelComponent(origin_component=struct_component) # # submit_snl_panel = ctc.SubmitSNLPanel(origin_component=struct_component) # action_div = html.Div( #     [submit_snl_panel.panel_layout, download_component.panel_layout] # ) # bsdos_component = ctc.BandstructureAndDosPanelComponent( #     origin_component=search_component # ) # # grain_boundary_panel = ctc.GrainBoundaryPanel(origin_component=search_component) # xas_component = ctc.XASPanelComponent(origin_component=search_component) # pd_component = ctc.PhaseDiagramPanelComponent(origin_component=struct_component) # literature_component = ctc.LiteratureComponent(origin_component=struct_component) # # mp_panels = [ #     pd_component, #     pbx_component, #     magnetism_component, #     xas_component, #     bsdos_component, #     # grain_boundary_panel, #     literature_component, # ] # html.Br(), # *mp_section, # endregion ################################################################################ # region CREATE OTHER LAYOUT ELEMENTS ################################################################################ # endregion ################################################################################ # region  DEFINE MAIN LAYOUT ################################################################################ # TODO: test responsiveness of layout on phone # endregion ################################################################################ # region SET UP APP-SPECIFIC CALLBACKS ################################################################################ If an mpid is provided in the url, load that mpid. Otherwise     load a random mpid from the DEFAULT_MPIDS global variable.      Args:         href: e.g. "http://localhost:8050/mp-11358"      Returns: an mpid Loading with an mpid in the URL requires populating the search term with     the mpid, this callback forces that search to then take place by force updating     n_submit and n_submit_timestamp props.      Args:         search_term: e.g. mp-11358         n_submit:      Returns: (1, time in ms since 1970) # TODO: could be a client side callback Updates the URL from the search term. Technically a circular callback,     this is done to prevent the app seeming inconsistent from the end user.      Args:         mpid: mpid      Returns: mpid # TODO: could be a client side callback A new structure is loaded either from the search component or from the     upload component. This callback triggers the update, and uses the callback     context to determine which should take precedence if there is both a search     term and uploaded data present.      Args:         search_mpid: e.g. "mp-11358"         upload_data: output of upload component, {"data": ..., "error" ...}      Returns: an encoded Structure # triggered by both on initial load # TODO: add comprehensive fix to this in pymatgen # endregion ################################################################################ # Run server :-) ################################################################################