schrodinger.application.combiglide.connection_storage module

class schrodinger.application.combiglide.connection_storage.ConnectionStorage

Bases: PyQt5.QtCore.QObject

This class is used to store the data of the current connection table.

addPair(bp, name='', csize=0, minlink=0, maxlink=0, cfile=0, bondToH=False, selected=False)

Adds a bond pair to the list of bond pairs, and also creates a more or less empty data line for that data. Data in array: [Attachment name, collection size, min linkers, max linkers, collection file, table row]

bondPair(a1, a2)

bondToH(bp)

changePair(oldbp, newbp)

changesSaved()

clearSelected()

collectionChanged()

containsMultipleCores()

deletePair(bp)

getAtomColorList()

getAtomList()

getBondColorList()

getBondList()

getBondListWithIgnored()

getCompleteBondList()

getConnectionColor(i)

Return the appropriate connection color for the i-th connection

Parameters:i (int) – The connection number to get the color for Returns:The appropriate color, formatted as a list of three integers between 0 and 255 Return type:list

getConnectionFile(bp)

getConnectionMaxLink(bp)

getConnectionMinLink(bp)

getConnectionName(bp)

getConnectionSize(bp)

getPairFromRow(num)

getRow(bp)

getSelected(bp)

hasChanged()

removeIgnorePair()

reset()

setConnectionFile(bp, cfile)

setConnectionMaxLink(bp, maxlink)

setConnectionMinLink(bp, minlink)

setConnectionName(bp, cname)

setConnectionSize(bp, csize)

setData(bp, name, csize, minlink, maxlink, cfile, row, bondToH, selected)

setIgnorePair(bp)

setRow(bp, row)

setSelected(bp, selected)

size()

switchPair(bp, newbp=False)

schrodinger.application.combiglide.connection_storage.extend_connection_colors(idx)

Make sure that connection_colors is at least as long as the requested length

Parameters:i (int) – The desired length of connection_colors

schrodinger.application.combiglide.connection_storage.gen_random_color()

Generate a new random color

Returns:A random color, formatted as a list of three integers between 0 and 255 Return type:list

schrodinger.application.combiglide.connection_storage.get_color_list(i)

Return a list of colors from 0 to i

Parameters:i (int) – The connection number to get colors up to Returns:A list of appropriate colors, where each color is formatted as a list of three integers between 0 and 255 Return type:list

schrodinger.application.combiglide.connection_storage.get_connection_color(i)

Return the appropriate color for the i-th connection

Parameters:i (int) – The connection number to get colors for Returns:The appropriate color, formatted as a list of three integers between 0 and 255 Return type:list

schrodinger.application.combiglide.connection_storage.get_flat_color_list(i)

Return a flat list of colors from 0 to i

Parameters:i (int) – The connection number to get colors up to Returns:A flat list of appropriate colors of length 3*i Return type:list

schrodinger.application.combiglide.connection_storage.reset_colors()

Reset the connection_colors list back to its original state. Intended for use in unit testing