nmreval/nmreval/gui_qt/data/container.py

from collections import OrderedDict
from itertools import cycle
from typing import Any

import numpy as np
from pyqtgraph import mkPen

from ...data.points import Points
from ...data.signals import Signal
from ...utils.text import convert
from ...data.bds import BDS
from ...lib.colors import BaseColor, TUColors
from ...lib.lines import LineStyle
from ...lib.symbols import SymbolStyle, symbolcycle
from ...data.nmr import Spectrum, FID

from ..Qt import QtCore
from ..io.exporters import GraceExporter
from ..lib.decorators import plot_update
from ..lib.pg_objects import ErrorBars, PlotItem


class ExperimentContainer(QtCore.QObject):
    dataChanged = QtCore.pyqtSignal(str)
    labelChanged = QtCore.pyqtSignal(str, str)
    groupChanged = QtCore.pyqtSignal(str, str)
    colors = cycle(TUColors)

    def __init__(self, identifier, data, **kwargs):
        super().__init__()
        self.id = str(identifier)

        self._fits = []
        self._data = data
        self._manager = kwargs.get('manager')
        self.graph = ''

        self.mode = 'point'
        self.plot_real = None
        self.plot_imag = None
        self.plot_error = None

        self.actions = {}
        self._update_actions()

    def _init_plot(self):
        raise NotImplementedError

    def __getitem__(self, item):
        try:
            return self._data[item]
        except KeyError:
            raise KeyError('Unknown key %s' % str(item)) from None

    def __del__(self):
        del self._data
        del self.plot_real
        del self.plot_imag
        del self.plot_error

    def __repr__(self):
        return 'name:' + self.name

    def __len__(self):
        return len(self._data)

    def copy(self, full: bool = False, keep_color: bool = True):
        if full:
            pen_dict = {}
            if keep_color:
                pen_dict = {
                    'symbol': self.plot_real.symbol,
                    'symbolcolor': self.plot_real.symbolcolor,
                    'symbolsize': self.plot_real.symbolsize,
                    'linestyle': self.plot_real.linestyle,
                    'linecolor': self.plot_real.linecolor,
                    'linewidth': self.plot_real.linewidth,
                }

            new_data = type(self)(str(self.id), self._data.copy(), manager=self._manager, **pen_dict)
            new_data.mode = self.mode

            if keep_color and self.plot_imag is not None:
                new_data.plot_imag.set_symbol(symbol=self.plot_imag.symbol, size=self.plot_imag.symbolsize,
                                              color=self.plot_imag.symbolcolor)
                new_data.plot_imag.set_line(style=self.plot_imag.linestyle, width=self.plot_imag.linewidth,
                                            color=self.plot_imag.linecolor)

            return new_data

        else:
            return self._data.copy()

    def change_type(self, data):
        if isinstance(data, (FID, Spectrum, BDS)):
            new_type = SignalContainer
        elif isinstance(data, Points):
            new_type = PointContainer
        else:
            raise TypeError('Unknown data type')

        # pen_dict = {
        #     'symbol': self.plot_real.symbol,
        #     'symbolcolor': self.plot_real.symbolcolor,
        #     'symbolsize': self.plot_real.symbolsize,
        #     'linestyle': self.plot_real.linestyle,
        #     'linecolor': self.plot_real.linecolor,
        #     'linewidth': self.plot_real.linewidth,
        # }

        new_data = new_type(str(self.id), data, manager=self._manager)

        # if new_data.plot_imag is not None:
        #     if self.plot_imag is not None:
        #         new_data.plot_imag.set_symbol(symbol=self.plot_imag.symbol, size=self.plot_imag.symbolsize,
        #                                       color=self.plot_imag.symbolcolor)
        #         new_data.plot_imag.set_line(style=self.plot_imag.linestyle, width=self.plot_imag.linewidth,
        #                                     color=self.plot_imag.linecolor)
        #     else:
        #         new_data.plot_imag.set_symbol(symbol=self.plot_real.symbol, size=self.plot_real.symbolsize,
        #                                       color=self.plot_real.symbolcolor)
        #         new_data.plot_imag.set_line(style=self.plot_real.linestyle, width=self.plot_real.linewidth,
        #                                     color=self.plot_real.linecolor)

        return new_data

    @property
    def x(self):
        return self._data.x[self._data.mask]

    @x.setter
    @plot_update
    def x(self, value):
        if len(self._data.x) == len(value):
            self._data.x = value
        elif len(self._data.x[self._data.mask]) == len(value):
            self._data.x = value
            self._data.y = self._data.y[self._data.mask]
            self._data.mask = np.ma.array(np.ones_like(self._data.x, dtype=bool))
        else:
            raise ValueError('x and y have different dimensions!')

    @property
    def y(self):
        return self._data.y[self._data.mask]

    @y.setter
    @plot_update
    def y(self, value):
        if len(self._data.y) == len(value):
            self._data.y = value
        elif len(self._data.y[self._data.mask]) == len(value):
            self._data.y = value
            self._data.x = self._data.x[self._data.mask]
            self._data.mask = np.ma.array(np.ones_like(self._data.y, dtype=bool))
        else:
            raise ValueError('x and y have different dimensions!')

    @property
    def y_err(self):
        return self._data.y_err[self._data.mask]

    @y_err.setter
    @plot_update
    def y_err(self, value):
        if len(self._data.y_err) == len(value):
            self._data.y_err = value
        elif len(self._data.y[self._data.mask]) == len(value):
            self._data.y_err[self._data.mask] = value
        else:
            raise ValueError('y_err has not correct length')

    @property
    def name(self):
        return self._data.name

    @name.setter
    @plot_update
    def name(self, value: str):
        self._data.name = value
        self.plot_real.opts['name'] = value
        try:
            self.plot_imag.opts['name'] = value
        except AttributeError:
            pass
        try:
            num_val = float(value)
            self._data.value = num_val
        except ValueError:
            pass

    @property
    def value(self):
        return self._data.value

    @value.setter
    def value(self, val):
        self._data.value = float(val)

    @property
    def group(self):
        return str(self._data['group'])

    @group.setter
    def group(self, valium):
        self._data['group'] = str(valium)
        self.groupChanged.emit(self.id, str(valium))

    @property
    def data(self):
        return self._data

    @data.setter
    @plot_update
    def data(self, new_data):
        self._data = new_data
        self._update_actions()

    @property
    def opts(self):
        return self._data.meta

    @property
    def plots(self):
        return self.plot_real, self.plot_imag, self.plot_error

    def get_state(self):
        ret_dic = {
            'id': self.id,
            'data': self._data.get_state(),
            'mode': self.mode,
            'fits': self._fits,
            'real': ({'symbol': self.plot_real.symbol.value,
                      'size': self.plot_real.symbolsize,
                      'color': self.plot_real.symbolcolor.value},
                     {'style': self.plot_real.linestyle.value,
                      'width': self.plot_real.linewidth,
                      'color': self.plot_real.linecolor.value})
        }

        if self.plot_imag is not None:
            ret_dic['imag'] = ({'symbol': self.plot_imag.symbol.value,
                                'size': self.plot_imag.symbolsize,
                                'color': self.plot_imag.symbolcolor.value},
                               {'style': self.plot_imag.linestyle.value,
                                'width': self.plot_imag.linewidth,
                                'color': self.plot_imag.linecolor.value})

        return ret_dic

    def get_fits(self):
        return [self._manager[idx] for idx in self._fits]

    def has_fits(self):
        return len(self._fits) != 0

    def set_fits(self, value: str or list, replace: bool = False):
        if isinstance(value, str):
            value = [value]

        if replace:
            if isinstance(value, list):
                self._fits = value
            else:
                raise TypeError()
        else:
            self._fits.extend(value)

    def _update_actions(self):
        self.actions.update({'sort': self._data.sort,
                             'cut': self._data.cut,
                             'norm': self._data.normalize,
                             'center': self.center})

    @plot_update
    def update(self, opts: dict):
        self._data.update(opts)

    def get_properties(self) -> dict:
        props = OrderedDict()
        props['General'] = OrderedDict([('Name', self.name), ('Value', str(self.value)), ('Group', str(self.group))])
        props['Symbol'] = OrderedDict()
        props['Line'] = OrderedDict()

        props['Symbol']['Symbol'] = self.plot_real.symbol
        props['Symbol']['Size'] = self.plot_real.symbolsize
        props['Symbol']['Color'] = self.plot_real.symbolcolor

        props['Line']['Style'] = self.plot_real.linestyle
        props['Line']['Width'] = self.plot_real.linewidth
        props['Line']['Color'] = self.plot_real.linecolor

        if self.plot_imag is not None:
            props['Symbol']['Symbol (imag)'] = self.plot_imag.symbol
            props['Symbol']['Size (imag)'] = self.plot_imag.symbolsize
            props['Symbol']['Color (imag)'] = self.plot_imag.symbolcolor

            props['Line']['Style (imag)'] = self.plot_imag.linestyle
            props['Line']['Width (imag)'] = self.plot_imag.linewidth
            props['Line']['Color (imag)'] = self.plot_imag.linecolor

        return props

    def setColor(self, color, symbol=False, line=False, mode='real'):
        if mode == 'real':
            self.plot_real.set_color(color, symbol=symbol, line=line)
            if self.plot_real.symbol != SymbolStyle.No and symbol:
                err_pen = self.plot_error.pen
                err_pen.setColor(self.plot_real.symbolcolor.rbg())
                self.plot_error.setData(pen=err_pen)
            elif line:
                err_pen = self.plot_error.pen
                err_pen.setColor(self.plot_real.linecolor.rbg())
                self.plot_error.setData(pen=err_pen)

        elif mode == 'imag' and self.plot_imag is not None:
            self.plot_imag.set_color(color, symbol=symbol, line=line)
        else:
            print('Updating color failed for ' +  str(self.id))

    def setSymbol(self, symbol=None, color=None, size=None, mode='real'):
        if mode == 'real':
            self.plot_real.set_symbol(symbol=symbol, size=size, color=color)
        elif mode == 'imag' and self.plot_imag is not None:
            self.plot_imag.set_symbol(symbol=symbol, size=size, color=color)
        else:
            print('Updating symbol failed for ' + str(self.id))

    def setLine(self, width=None, style=None, color=None, mode='real'):
        if mode == 'real':
            self.plot_real.set_line(width=width, style=style, color=color)
        elif mode == 'imag' and self.plot_imag is not None:
            self.plot_imag.set_line(width=width, style=style, color=color)
        else:
            print('Updating line failed for ' + str(self.id))

    def update_property(self, key1: str, key2: str, value: Any):
        keykey = key2.split()
        if len(keykey) == 1:
            if key1 == 'Symbol':
                self.setSymbol(mode='real', **{key2.lower(): value})

            elif key1 == 'Line':
                self.setLine(mode='real', **{key2.lower(): value})

            elif key1 == 'General':
                setattr(self, key2.lower(), value)

        else:
            if key1 == 'Symbol':
                self.setSymbol(mode='imag', **{keykey[0].lower(): value})

            elif key1 == 'Line':
                self.setLine(mode='imag', **{keykey[0].lower(): value})

    def points(self, params: dict):
        return self._data.points(**params)

    @plot_update
    def apply(self, func: str, args: tuple):
        if func in self.actions:
            f = self.actions[func]
            f(*args)

        return self

    @plot_update
    def unsort(self, order: np.ndarray):
        # this exists only to update plots after an undo action
        self._data.x = self._data.x[order]
        self._data.y = self._data.y[order]
        self._data.y_err = self._data.y_err[order]
        self._data.mask = self._data.mask[order]

    def save(self, fname):
        ext = fname.suffix
        if ext == '.agr':
            dic = self._manager.graphs[self.graph].get_state()
            dic['items'] = [self.plot_real.get_data_opts()]
            if self.plot_imag is not None:
                dic['items'].append(self.plot_imag.get_data_opts())

            GraceExporter(dic).export(fname)

        elif ext in ['.dat', '.txt']:
            self._data.savetxt(fname, err=True)

        else:
            raise ValueError('Unknown extension ' + ext)

    @plot_update
    def setvalues(self, pos, valium):
        xy, position = pos
        if xy == 0:
            self._data.x[position] = valium
        elif xy == 1:
            self._data.y[position] = valium
        else:
            self._data.y_err[position] = valium

    @property
    def mask(self):
        return self._data.mask

    @mask.setter
    @plot_update
    def mask(self, m):
        self._data.mask = np.asarray(m, dtype=bool)

    @plot_update
    def add(self, m):
        if isinstance(m, (np.ndarray, list, tuple)):
            self._data.append(m[0], m[1], y_err=m[2])
        elif isinstance(m, (Points, ExperimentContainer)):
            self._data.append(m.x, m.y, y_err=m.y_err)
        else:
            raise TypeError('Unknown type ' + type(m))

    @plot_update
    def remove(self, m):
        self._data.remove(m)

    @plot_update
    def center(self) -> float:
        offset = self.x[np.argmax(self.y.real)]
        self._data._x -= offset

        return offset

    def get_namespace(self, i: int = None, j: int = None) -> dict:
        if (i is None) and (j is None):
            prefix = ''
        else:
            prefix = 'g[%i].s[%i].' % (i, j)

        namespace = {prefix + 'x': (self.x, 'x values'),
                     prefix + 'y': [self.y, 'y values'],
                     prefix + 'y_err': (self.y_err, 'y error values'),
                     prefix + 'value': (self.value, str(self.value))}

        if len(self._fits) == 1:
            namespace.update({
                "%sfit['%s']" % (prefix, convert(pname, old='tex', new='str')): (pvalue.value, str(pvalue.value))
                for (pname, pvalue) in self._manager[self._fits[0]].parameter.items()
            })
        else:
            for k, f in enumerate(self._fits):
                namespace.update({
                    "%sfit['%s_%d']" % (prefix, convert(pname, old='tex', new='str'), k): (pvalue.value, str(pvalue.value))
                    for (pname, pvalue) in self._manager[f].parameter.items()
                })

        return namespace

    def eval_expression(self, cmds, namespace):
        namespace.update({'x': self.x, 'y': self.y, 'y_err': self.y_err, 'value': self.value})

        if len(self._fits) == 1:
            namespace.update({"fit['%s']" % (convert(pname, old='tex', new='str')): pvalue.value
                              for (pname, pvalue) in self._manager[self._fits[0]].parameter.items()})
        else:
            for k, f in enumerate(self._fits):
                namespace.update({"fit['%s_%i']" % (convert(pname, old='tex', new='str'), k): pvalue.value
                                  for (pname, pvalue) in self._manager[f].parameter.items()})

        new_data = self.copy()
        for c in cmds:
            if c:
                exec(c, globals(), namespace)

        new_data.set_data(x=namespace['x'], y=namespace['y'], y_err=namespace['y_err'])
        new_data.value = namespace['value']

        return new_data


class PointContainer(ExperimentContainer):
    symbols = symbolcycle()

    def __init__(self, identifier, data, **kwargs):
        super().__init__(identifier, data, **kwargs)

        self.mode = 'pts'
        self._init_plot(**kwargs)

    def _init_plot(self, **kwargs):
        self.plot_imag = None

        color = kwargs.get('color', None)
        symcolor = kwargs.get('symbolcolor', color)
        linecolor = kwargs.get('linecolor', color)

        if symcolor is None and linecolor is None:
            color = next(self.colors)
            symcolor = color
            linecolor = color
        elif symcolor is None:
            symcolor = linecolor
        elif linecolor is None:
            linecolor = symcolor

        sym_kwargs = {
            'symbol': kwargs.get('symbol', None),
            'size': kwargs.get('symbolsize', 10),
            'color': symcolor
        }

        line_kwargs = {
            'style': kwargs.get('linestyle', None),
            'width': kwargs.get('linewidth', 1),
            'color': linecolor
        }

        if sym_kwargs['symbol'] is None and line_kwargs['style'] is None:
            if len(self._data) > 500:
                line_kwargs['style'] = LineStyle.Solid
                sym_kwargs['symbol'] = SymbolStyle.No
            else:
                line_kwargs['style'] = LineStyle.No
                sym_kwargs['symbol'] = next(PointContainer.symbols)

        self.plot_real = PlotItem(x=self._data.x, y=self._data.y, name=self.name,
                                  symbol=None, pen=None, connect='finite')

        self.setSymbol(mode='real', **sym_kwargs)
        self.setLine(mode='real', **line_kwargs)

        if sym_kwargs['symbol'] != SymbolStyle.No:
            self.plot_error = ErrorBars(x=self._data.x, y=self._data.y, top=self._data.y_err, bottom=self._data.y_err,
                                        pen=mkPen({'color': self.plot_real.symbolcolor.rgb()}))
        else:
            self.plot_error = ErrorBars(x=self._data.x, y=self._data.y, top=self._data.y_err, bottom=self._data.y_err,
                                        pen=mkPen({'color': self.plot_real.linecolor.rgb()}))

    def update_property(self, key1: str, key2: str, value: Any):
        # update default color
        if key1 == 'Symbol' and key2 == 'Color':
            self.plot_real.set_color(value, symbol=True, line=False)
        super().update_property(key1, key2, value)


class FitContainer(ExperimentContainer):
    def __init__(self, identifier, data, **kwargs):
        super().__init__(identifier, data, **kwargs)
        self.fitted_key = kwargs.get('src', '')
        self.mode = 'fit'
        self.parent_set = kwargs.get('src', '')

        self._init_plot(**kwargs)

        for n in ['statistics', 'nobs', 'nvar', 'parameter', 'model_name']:
            setattr(self, n, getattr(data, n))

    def _init_plot(self, **kwargs):
        color = kwargs.get('color', (0, 0, 0))
        if isinstance(color, BaseColor):
            color = color.rgb()

        self.plot_real = PlotItem(x=self._data.x, y=self._data.y.real, name=self.name,
                                  pen=mkPen({'color': color}),
                                  connect='finite', symbol=None)

        if np.iscomplexobj(self._data.y):
            self.plot_imag = PlotItem(x=self._data.x, y=self._data.y.imag, name=self.name,
                                      pen=mkPen({'color': color}),
                                      connect='finite', symbol=None)

    @property
    def fitted_key(self):
        return self._data.idx

    @fitted_key.setter
    def fitted_key(self, val):
        self._data.idx = val

    def get_namespace(self, i: int = None, j: int = None):
        namespace = super().get_namespace(i, j)

        namespace.update({
            "g[%i].s[%i].fit['%s']" % (i, j, convert(pname, old='latex', new='plain')): (pvalue.value, str(pvalue.value))
            for (pname, pvalue) in self._data.parameter.items()
        })

        return namespace


class SignalContainer(ExperimentContainer):
    symbols = symbolcycle()

    def __init__(self, identifier, data, symbol=None, **kwargs):
        super().__init__(identifier, data, **kwargs)

        self.mode = 'signal'
        self._init_plot(symbol=symbol, **kwargs)

    def _init_plot(self, **kwargs):
        self.plot_real = PlotItem(x=self._data.x, y=self._data.y.real, name=self.name,
                                  symbol=None, pen=None, connect='finite')
        self.plot_imag = PlotItem(x=self._data.x, y=self._data.y.imag, name=self.name,
                                  symbol=None, pen=None, connect='finite')

        color = kwargs.get('color', None)
        symcolor = kwargs.get('symbolcolor', color)
        linecolor = kwargs.get('linecolor', color)

        if symcolor is None and linecolor is None:
            color = next(self.colors)
            symcolor = color
            linecolor = color
        elif symcolor is None:
            symcolor = linecolor
        elif linecolor is None:
            linecolor = symcolor

        sym_kwargs = {
            'symbol': kwargs.get('symbol', None),
            'size': kwargs.get('symbolsize', 10),
            'color': symcolor
        }

        line_kwargs = {
            'style': kwargs.get('linestyle', None),
            'width': kwargs.get('linewidth', 1),
            'color': linecolor
        }

        if isinstance(self._data, BDS):
            self.mode = 'bds'
            if sym_kwargs['symbol'] is None and line_kwargs['style'] is None:
                if len(self._data) <= 91:
                    sym_kwargs['symbol'] = next(PointContainer.symbols)
                    line_kwargs['style'] = LineStyle.No
                else:
                    line_kwargs['style'] = LineStyle.Solid
                    sym_kwargs['symbol'] = SymbolStyle.No

        elif isinstance(self._data, Signal):
            if line_kwargs['style'] is None and sym_kwargs['symbol'] is None:
                line_kwargs['style'] = LineStyle.Solid
                sym_kwargs['symbol'] = SymbolStyle.No

            if isinstance(self._data, FID):
                self.mode = 'fid'
            else:
                self.mode = 'spectrum'
        else:
            raise TypeError('Unknown class %s, should be FID, Spectrum, or BDS.' % type(self._data))

        for mode in ['real', 'imag']:
            if mode == 'imag' and line_kwargs['style'] != LineStyle.No:
                line_kwargs['style'] = LineStyle.Dashed
            self.setSymbol(mode=mode, **sym_kwargs)
            self.setLine(mode=mode, **line_kwargs)

    def _update_actions(self):
        super()._update_actions()

        self.actions.update({'ph': self._data.manual_phase, 'bls': self._data.baseline_spline})
        if isinstance(self._data, Spectrum):
            self.actions.update({'bl': self._data.baseline, 'ls': self._data.shift,
                                 'divide': self._data.divide, 'ft': self.fourier})
            self.mode = 'spectrum'

        elif isinstance(self._data, FID):
            self.actions.update({'bl': self._data.baseline, 'ls': self._data.shift,
                                 'zf': self._data.zerofill, 'divide': self._data.divide,
                                 'ap': self._data.apod, 'ft': self.fourier})
            self.mode = 'fid'

    @plot_update
    def fourier(self, mode='normal'):
        if mode == 'normal':
            self._data = self._data.fourier()
        elif mode == 'depake':
            try:
                self._data = self._data.fft_depake()
            except AttributeError:
                return
        self._update_actions()

        return self