def read_xvgs_all(filelist): out_list = [] for i in range(len(filelist)): block = np.array(gs.load_xydy(filelist[i])) print(" ...file read, shape: %s" % str(block.shape), file=sys.stderr) out_list.append(block) return out_list
def load_input_file(infn, min=np.nan, max=np.nan): x, y, dy = gs.load_xydy(infn) if np.isnan(min): if np.isnan(max): return np.array(x), np.array(y), np.array(dy) else: ind = np.where(x < max)[0] elif np.isnan(max): ind = np.where(x > min)[0] else: ind = np.where(np.logical_and(x > min, x < max))[0] return np.array(x[ind]), np.array(y[ind]), np.array(dy[ind])
def load_input_file(infn): x, y, dy = gs.load_xydy(infn) return np.array(x), np.array(y), np.array(dy)
def read_xvgs_all(filelist): out_list = [] for i in range(len(filelist)): block = np.array(gs.load_xydy(filelist[i])) out_list.append(block) return out_list
help='Assume there is an error column in the input file, and then compute the result with errors.') parser.add_argument('--qmin',type=float,default=0.0) parser.add_argument('--qmax',type=float,default=3.0) parser.add_argument('--qpts',type=float,default=151) args = parser.parse_args() if args.xmin == -np.inf and args.xmax == np.inf: bPrune=False else: bPrune=True x=None ; y=None ; dy=None x2=None ; y2=None ; dy2=None if args.bError: x,y,dy = gs.load_xydy(args.ifile) if bPrune: [x,y,dy] = prune_data(args.xmin, args.xmax, x, [y,dy] ) if not args.ifile2 is None: x2,y2,dy2 = gs.load_xydy(args.ifile2) if bPrune: [x2,y2,dy2] = prune_data(args.xmin, args.xmax, x2, [y2,dy2] ) else: x, y = gs.load_xy(args.ifile) if bPrune: [x,y] = prune_data(args.xmin, args.xmax, x, [y] ) if not args.ifile2 is None: x2, y2 = gs.load_xy(args.ifile2) if bPrune: [x2,y2] = prune_data(args.xmin, args.xmax, x2, [y2] )
) parser.add_argument( '--fit_Guinier', action='store_true', dest='bFitGuinier', help= 'Search for improved buffer subtraction by demanding that the Guinier-fit be optimised. ' 'The parameter -f2 will be rescaled, along with the Rg of the molecule' 'This ideally removes inflections at zero-angle.') args = parser.parse_args() f1 = args.scale1 f2 = args.scale2 f3 = args.scale3 sx, sy, sdy = gs.load_xydy(args.sfile) sx = np.array(sx) sy = np.array(sy) sdy = np.array(sdy) #bx1, by1, bdy1 = gs.load_xydy(args.bfile1) #bx2, by2, bdy2 = gs.load_xydy(args.bfile2) #load all buffer files. if args.addfile != '' and args.addfact != 0: bMod = True ax, ay, ady = gs.load_xydy(args.addfile) if ax[0] != sx[0]: print( "= = = ERROR: The first X-value between sample and additonal-correction curves are NOT the same! Aborting." ) sys.exit()