from scipy import spatial import numpy as np def _ks(size,grid,first_order=False): """ Get wave numbers operator. Parameters ---------- size : numpy.ndarray physical size of the periodic field. """ k_sk = np.where(np.arange(grid[0])>grid[0]//2,np.arange(grid[0])-grid[0],np.arange(grid[0]))/size[0] if grid[0]%2 == 0 and first_order: k_sk[grid[0]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011) k_sj = np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1]))/size[1] if grid[1]%2 == 0 and first_order: k_sj[grid[1]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011) k_si = np.arange(grid[2]//2+1)/size[2] kk, kj, ki = np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij') return np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3) def curl(size,field): """ Calculate curl of a vector or tensor field in Fourier space. Parameters ---------- size : numpy.ndarray physical size of the periodic field. """ n = np.prod(field.shape[3:]) k_s = _ks(size,field.shape[:3],True) e = np.zeros((3, 3, 3)) e[0, 1, 2] = e[1, 2, 0] = e[2, 0, 1] = +1.0 # Levi-Civita symbol e[0, 2, 1] = e[2, 1, 0] = e[1, 0, 2] = -1.0 field_fourier = np.fft.rfftn(field,axes=(0,1,2)) curl = (np.einsum('slm,ijkl,ijkm ->ijks', e,k_s,field_fourier)*2.0j*np.pi if n == 3 else # vector, 3 -> 3 np.einsum('slm,ijkl,ijknm->ijksn',e,k_s,field_fourier)*2.0j*np.pi) # tensor, 3x3 -> 3x3 return np.fft.irfftn(curl,axes=(0,1,2),s=field.shape[:3]) def divergence(size,field): """ Calculate divergence of a vector or tensor field in Fourier space. Parameters ---------- size : numpy.ndarray physical size of the periodic field. """ n = np.prod(field.shape[3:]) k_s = _ks(size,field.shape[:3],True) field_fourier = np.fft.rfftn(field,axes=(0,1,2)) divergence = (np.einsum('ijkl,ijkl ->ijk', k_s,field_fourier)*2.0j*np.pi if n == 3 else # vector, 3 -> 1 np.einsum('ijkm,ijklm->ijkl',k_s,field_fourier)*2.0j*np.pi) # tensor, 3x3 -> 3 return np.fft.irfftn(divergence,axes=(0,1,2),s=field.shape[:3]) def gradient(size,field): """ Calculate gradient of a vector or scalar field in Fourier space. Parameters ---------- size : numpy.ndarray physical size of the periodic field. """ n = np.prod(field.shape[3:]) k_s = _ks(size,field.shape[:3],True) field_fourier = np.fft.rfftn(field,axes=(0,1,2)) gradient = (np.einsum('ijkl,ijkm->ijkm', field_fourier,k_s)*2.0j*np.pi if n == 1 else # scalar, 1 -> 3 np.einsum('ijkl,ijkm->ijklm',field_fourier,k_s)*2.0j*np.pi) # vector, 3 -> 3x3 return np.fft.irfftn(gradient,axes=(0,1,2),s=field.shape[:3]) def cell_coord0(grid,size,origin=np.zeros(3)): """ Cell center positions (undeformed). Parameters ---------- grid : numpy.ndarray number of grid points. size : numpy.ndarray physical size of the periodic field. origin : numpy.ndarray, optional physical origin of the periodic field. Default is [0.0,0.0,0.0]. """ start = origin + size/grid*.5 end = origin - size/grid*.5 + size x, y, z = np.meshgrid(np.linspace(start[2],end[2],grid[2]), np.linspace(start[1],end[1],grid[1]), np.linspace(start[0],end[0],grid[0]), indexing = 'ij') return np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3) def cell_displacement_fluct(size,F): """ Cell center displacement field from fluctuation part of the deformation gradient field. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. """ integrator = 0.5j*size/np.pi k_s = _ks(size,F.shape[:3],False) k_s_squared = np.einsum('...l,...l',k_s,k_s) k_s_squared[0,0,0] = 1.0 displacement = -np.einsum('ijkml,ijkl,l->ijkm', np.fft.rfftn(F,axes=(0,1,2)), k_s, integrator, ) / k_s_squared[...,np.newaxis] return np.fft.irfftn(displacement,axes=(0,1,2),s=F.shape[:3]) def cell_displacement_avg(size,F): """ Cell center displacement field from average part of the deformation gradient field. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. """ F_avg = np.average(F,axis=(0,1,2)) return np.einsum('ml,ijkl->ijkm',F_avg-np.eye(3),cell_coord0(F.shape[:3][::-1],size)) def cell_displacement(size,F): """ Cell center displacement field from deformation gradient field. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. """ return cell_displacement_avg(size,F) + cell_displacement_fluct(size,F) def cell_coord(size,F,origin=np.zeros(3)): """ Cell center positions. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. origin : numpy.ndarray, optional physical origin of the periodic field. Default is [0.0,0.0,0.0]. """ return cell_coord0(F.shape[:3][::-1],size,origin) + cell_displacement(size,F) def cell_coord0_gridSizeOrigin(coord0,ordered=True): """ Return grid 'DNA', i.e. grid, size, and origin from array of cell positions. Parameters ---------- coord0 : numpy.ndarray array of undeformed cell coordinates. ordered : bool, optional expect coord0 data to be ordered (x fast, z slow). """ coords = [np.unique(coord0[:,i]) for i in range(3)] mincorner = np.array(list(map(min,coords))) maxcorner = np.array(list(map(max,coords))) grid = np.array(list(map(len,coords)),'i') size = grid/np.maximum(grid-1,1) * (maxcorner-mincorner) delta = size/grid origin = mincorner - delta*.5 # 1D/2D: size/origin combination undefined, set origin to 0.0 size [np.where(grid==1)] = origin[np.where(grid==1)]*2. origin[np.where(grid==1)] = 0.0 if grid.prod() != len(coord0): raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid)) start = origin + delta*.5 end = origin - delta*.5 + size if not np.allclose(coords[0],np.linspace(start[0],end[0],grid[0])) and \ np.allclose(coords[1],np.linspace(start[1],end[1],grid[1])) and \ np.allclose(coords[2],np.linspace(start[2],end[2],grid[2])): raise ValueError('Regular grid spacing violated.') if ordered and not np.allclose(coord0.reshape(tuple(grid[::-1])+(3,)),cell_coord0(grid,size,origin)): raise ValueError('Input data is not a regular grid.') return (grid,size,origin) def coord0_check(coord0): """ Check whether coordinates lie on a regular grid. Parameters ---------- coord0 : numpy.ndarray array of undeformed cell coordinates. """ cell_coord0_gridSizeOrigin(coord0,ordered=True) def node_coord0(grid,size,origin=np.zeros(3)): """ Nodal positions (undeformed). Parameters ---------- grid : numpy.ndarray number of grid points. size : numpy.ndarray physical size of the periodic field. origin : numpy.ndarray, optional physical origin of the periodic field. Default is [0.0,0.0,0.0]. """ x, y, z = np.meshgrid(np.linspace(origin[2],size[2]+origin[2],1+grid[2]), np.linspace(origin[1],size[1]+origin[1],1+grid[1]), np.linspace(origin[0],size[0]+origin[0],1+grid[0]), indexing = 'ij') return np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3) def node_displacement_fluct(size,F): """ Nodal displacement field from fluctuation part of the deformation gradient field. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. """ return cell_2_node(cell_displacement_fluct(size,F)) def node_displacement_avg(size,F): """ Nodal displacement field from average part of the deformation gradient field. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. """ F_avg = np.average(F,axis=(0,1,2)) return np.einsum('ml,ijkl->ijkm',F_avg-np.eye(3),node_coord0(F.shape[:3][::-1],size)) def node_displacement(size,F): """ Nodal displacement field from deformation gradient field. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. """ return node_displacement_avg(size,F) + node_displacement_fluct(size,F) def node_coord(size,F,origin=np.zeros(3)): """ Nodal positions. Parameters ---------- size : numpy.ndarray physical size of the periodic field. F : numpy.ndarray deformation gradient field. origin : numpy.ndarray, optional physical origin of the periodic field. Default is [0.0,0.0,0.0]. """ return node_coord0(F.shape[:3][::-1],size,origin) + node_displacement(size,F) def cell_2_node(cell_data): """Interpolate periodic cell data to nodal data.""" n = ( cell_data + np.roll(cell_data,1,(0,1,2)) + np.roll(cell_data,1,(0,)) + np.roll(cell_data,1,(1,)) + np.roll(cell_data,1,(2,)) + np.roll(cell_data,1,(0,1)) + np.roll(cell_data,1,(1,2)) + np.roll(cell_data,1,(2,0)))*0.125 return np.pad(n,((0,1),(0,1),(0,1))+((0,0),)*len(cell_data.shape[3:]),mode='wrap') def node_2_cell(node_data): """Interpolate periodic nodal data to cell data.""" c = ( node_data + np.roll(node_data,1,(0,1,2)) + np.roll(node_data,1,(0,)) + np.roll(node_data,1,(1,)) + np.roll(node_data,1,(2,)) + np.roll(node_data,1,(0,1)) + np.roll(node_data,1,(1,2)) + np.roll(node_data,1,(2,0)))*0.125 return c[:-1,:-1,:-1] def node_coord0_gridSizeOrigin(coord0,ordered=False): """ Return grid 'DNA', i.e. grid, size, and origin from array of nodal positions. Parameters ---------- coord0 : numpy.ndarray array of undeformed nodal coordinates. ordered : bool, optional expect coord0 data to be ordered (x fast, z slow). """ coords = [np.unique(coord0[:,i]) for i in range(3)] mincorner = np.array(list(map(min,coords))) maxcorner = np.array(list(map(max,coords))) grid = np.array(list(map(len,coords)),'i') - 1 size = maxcorner-mincorner origin = mincorner if (grid+1).prod() != len(coord0): raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid)) if not np.allclose(coords[0],np.linspace(mincorner[0],maxcorner[0],grid[0]+1)) and \ np.allclose(coords[1],np.linspace(mincorner[1],maxcorner[1],grid[1]+1)) and \ np.allclose(coords[2],np.linspace(mincorner[2],maxcorner[2],grid[2]+1)): raise ValueError('Regular grid spacing violated.') if ordered and not np.allclose(coord0.reshape(tuple((grid+1)[::-1])+(3,)),node_coord0(grid,size,origin)): raise ValueError('Input data is not a regular grid.') return (grid,size,origin) def regrid(size,F,new_grid): """ Return mapping from coordinates in deformed configuration to a regular grid. Parameters ---------- size : numpy.ndarray physical size F : numpy.ndarray deformation gradient field new_grid : numpy.ndarray new grid for undeformed coordinates """ c = cell_coord0(F.shape[:3][::-1],size) \ + cell_displacement_avg(size,F) \ + cell_displacement_fluct(size,F) outer = np.dot(np.average(F,axis=(0,1,2)),size) for d in range(3): c[np.where(c[:,:,:,d]<0)] += outer[d] c[np.where(c[:,:,:,d]>outer[d])] -= outer[d] tree = spatial.cKDTree(c.reshape((-1,3)),boxsize=outer) return tree.query(cell_coord0(new_grid,outer))[1].flatten()