How to use relCoords method in fMBT

Best Python code snippet using fMBT_python

drawDiodes.py

Source:drawDiodes.py

...26        group = self.createGroup(parent, label)27        elem = self.createGroup(group)28        if mirror:29            if flagType == 'varicap':30                inkDraw.line.relCoords(elem, [[-(16 + wireExtraSize), 0]], self.add(position, [-9, 0]))31            else:32                inkDraw.line.relCoords(elem, [[-(19 + wireExtraSize), 0]], self.add(position, [-6, 0]))33            inkDraw.line.relCoords(elem, [[12, 6], [0, -12], [-12, 6]], self.add(position, [-6, 0]))34            inkDraw.line.relCoords(elem, [[19 + wireExtraSize, 0]], self.add(position, [6, 0]))35            if flagType in ['regular', 'LED', 'photoDiode']:36                inkDraw.line.relCoords(elem, [[0, 12]], self.add(position, [-6, -6]))37            if flagType == 'zener':38                inkDraw.line.relCoords(elem, [[-2, -2], [0, -10], [-2, -2]], self.add(position, [-6 + 2, 5 + 2]))39            if flagType == 'schottky':40                inkDraw.line.relCoords(elem, [[0, 2], [3, 0], [0, -12], [3, 0], [0, 2]], self.add(position, [-6 - 3, 6 - 2]))41            if flagType == 'tunnel':42                inkDraw.line.relCoords(elem, [[-3, 0], [0, -12], [3, 0]], self.add(position, [-6 + 3, 6]))43            if flagType == 'varicap':44                inkDraw.line.relCoords(elem, [[0, 12]], self.add(position, [-6, -6]))45                inkDraw.line.relCoords(elem, [[0, 12]], self.add(position, [-9, -6]))46        else:47            if flagType == 'varicap':48                inkDraw.line.relCoords(elem, [[16 + wireExtraSize, 0]], self.add(position, [6 + 3, 0]))49            else:50                inkDraw.line.relCoords(elem, [[19 + wireExtraSize, 0]], self.add(position, [6, 0]))51            inkDraw.line.relCoords(elem, [[-(19 + wireExtraSize), 0]], self.add(position, [-6, 0]))52            inkDraw.line.relCoords(elem, [[-12, 6], [0, -12], [12, 6]], self.add(position, [6, 0]))53            if flagType in ['regular', 'LED', 'photoDiode']:54                inkDraw.line.relCoords(elem, [[0, 12]], self.add(position, [6, -6]))55            if flagType == 'zener':56                inkDraw.line.relCoords(elem, [[-2, -2], [0, -10], [-2, -2]], self.add(position, [6 + 2, 5 + 2]))57            if flagType == 'schottky':58                inkDraw.line.relCoords(elem, [[0, 2], [3, 0], [0, -12], [3, 0], [0, 2]], self.add(position, [6 - 3, 6 - 2]))59            if flagType == 'tunnel':60                inkDraw.line.relCoords(elem, [[3, 0], [0, -12], [-3, 0]], self.add(position, [6 - 3, 6]))61            if flagType == 'varicap':62                inkDraw.line.relCoords(elem, [[0, 12]], self.add(position, [6, -6]))63                inkDraw.line.relCoords(elem, [[0, 12]], self.add(position, [9, -6]))64        if value is not None:65            if flagType == 'LED':66                pos_text = self.add(position, [0, -13 - self.textOffset])67            if flagType == 'photoDiode':68                pos_text = self.add(position, [0, -13 - self.textOffset])69            if flagType in ['regular', 'zener', 'schottky', 'tunnel', 'varicap']:70                pos_text = self.add(position, [0, -6 - self.textOffset])71            if inkDraw.useLatex:72                value = '$' + value + '$'73            inkDraw.text.latex(self, group, value, pos_text, fontSize=self.fontSize, refPoint='bc', preambleFile=self.preambleFile)74        if angleDeg != 0:75            self.rotateElement(group, position, angleDeg)76        if flagVolt:77            if convention == 'passive':78                self.drawVoltArrow(group, self.add(position, [0, 7]), name=voltName, color=self.voltageColor, angleDeg=angleDeg,79                                   invertArrows=not (invertArrows != mirror))80            if convention == 'active':81                self.drawVoltArrow(group, self.add(position, [0, 7]), name=voltName, color=self.voltageColor, angleDeg=angleDeg,82                                   invertArrows=(invertArrows != mirror))83        if flagCurr:84            self.drawCurrArrow(group, self.add(position, [20 + wireExtraSize, -5]), name=currName, color=self.currentColor, angleDeg=angleDeg,85                               invertArrows=(invertArrows != mirror))86        if flagType == 'LED':87            arrow = self.createGroup(elem)88            inkDraw.line.relCoords(arrow, [[7, 0]], position)89            inkDraw.line.relCoords(arrow, [[1.5, -1.5], [-1.5, -1.5]], self.add(position, [5.5, 1.5]))90            self.rotateElement(arrow, position, 60)91            self.moveElement(arrow, [-3, -8])92            self.copyElement(arrow, elem, distance=[5, 2])93        if flagType == 'photoDiode':94            arrow = self.createGroup(elem)95            inkDraw.line.relCoords(arrow, [[7, 0]], position)96            inkDraw.line.relCoords(arrow, [[1.5, -1.5], [-1.5, -1.5]], self.add(position, [5.5, 1.5]))97            self.rotateElement(arrow, position, -120)98            self.moveElement(arrow, [0, -14])99            self.copyElement(arrow, elem, distance=[5, 2])...

geometry.py

Source:geometry.py

1#------------------------------------------------------------------------------#2#  DFTB+: general package for performing fast atomistic simulations            #3#  Copyright (C) 2017  DFTB+ developers group                                  #4#                                                                              #5#  See the LICENSE file for terms of usage and distribution.                   #6#------------------------------------------------------------------------------#7#8'''Representation of a geometry'''9import numpy as np10import numpy.linalg as la11__all__ = ["Geometry"]12class Geometry:13    """Atomic geometry representation.14    Attributes:15        specienames: Name of atomtypes which can be found in the geometry.16        nspecie: Number of species.17        indexes: For each atom the index of the corresponding specie18            in specienames.19        natom: Number of atoms.20        coords: xyz coordinates of the atoms.21        origin: Origin.22        periodic: True if the structure is periodic.23        latvecs: Lattice vectors (None for non-periodic structures).24        relcoords: Relative lattice coordinates (None if non-periodic).25    """26    def __init__(self, specienames, indexes, coords, latvecs=None, origin=None,27                 relcoords=False):28        """Initializes a geometry object.29        Args:30            specienames: Names of the species occuring in the geometry.31            indexes: Species index for every atom. Shape (natom,)32            coords: Coordinates of the atoms.33            latvecs: Lattice vectors (default: None, non-periodic modell).34            origin: Origin of the primitive cell (default (0.0, 0.0, 0.0))35            relcoords: If set to yes, coordinates are assumed to be relative36                coordinates specified as multiples of the lattice vectors.37        """38        self.specienames = list(specienames)39        self.nspecie = len(self.specienames)40        self.indexes = np.array(indexes)41        self.natom = len(self.indexes)42        self.coords = np.array(coords)43        if origin is None:44            self.origin = np.array((0, 0, 0), dtype=float)45        else:46            self.origin = np.array(origin, dtype=float)47        self.periodic = latvecs is not None48        if self.periodic:49            self.latvecs = np.array(latvecs, dtype=float)50            self._invlatvecs = la.inv(self.latvecs)51            if relcoords:52                self.relcoords = coords53                self.coords = np.dot(self.relcoords, self.latvecs) + self.origin54            else:55                self.coords = coords56                self.relcoords = np.dot(self.coords - self.origin,57                                        self._invlatvecs)58        else:59            self.latvecs = None60            self._invlatvecs = None61            self.relcoords = None62    def setlattice(self, latvecs, origin=None):63        """Makes geometry periodic or changes supercell vectors.64        Args:65            latvecs: Periodicity defined by lattice vectors.66            origin: Origin (default: 0, 0, 0)67        """68        self.latvecs = np.array(latvecs, dtype=float)69        self._invlatvecs = la.inv(self.latvecs)70        if origin is None:71            self.origin = np.array((0, 0, 0), dtype=float)72        else:73            self.origin = np.array(origin, dtype=float)74        self.relcoords = np.dot(self.coords - self.origin, self._invlatvecs)75        self.periodic = True76    def equals(self, other, tolerance):77        '''Checks whether object equals to an other one.78        Args:79            other (Geometry): Other geometry.80            tolerance (float): Maximal allowed deviation in floating point81                numbers (e.g. coordinates).82        '''83        if self.specienames != other.specienames:84            return False85        if np.any(self.indexes != other.indexes):86            return False87        if np.any(abs(self.coords - other.coords) > tolerance):88            return False89        if np.any(abs(self.origin - other.origin) > tolerance):90            return False91        if self.periodic != other.periodic:92            return False93        if self.periodic:94            if np.any(abs(self.latvecs - other.latvecs) > tolerance):95                return False96            if np.any(abs(self.relcoords - other.relcoords) > tolerance):97                return False...

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