Avogadro2 XYZ directory to PNG

screenshots.py

#!/usr/bin/python

import json
import socket
import struct
import glob
import tempfile
import os

class Connection:
    '''Process a JSON-RPC request'''

    def __init__(self, name="avogadro"):
        """
        Connect to the local named pipe

        :param name: The name of the named pipe.
        """
        # create socket
        self.sock = socket.socket(socket.AF_UNIX, socket.SOCK_STREAM)

        # connect
        self.sock.connect(tempfile.gettempdir() + "/" + name)

    def send_json(self, obj):
        """
        Send a JSON-RPC request to the named pipe.

        :param obj: The JSON-RPC request object.
        """
        self.send_message(json.dumps(obj))

    def send_message(self, msg):
        """
        Send a message to the named pipe

        :param msg: The message to send.
        """
        size = len(msg)
        header = struct.pack(">I", size)
        packet = header + msg.encode("ascii")
        self.sock.send(packet)

    def receive_message(self, size=1024):
        """
        Receive a message from the named pipe.

        :param size: The maximum size of the message to receive.
        """
        packet = self.sock.recv(size)

        return packet[4:]

    def recv_json(self):
        '''Receive a JSON-RPC response'''
        msg = self.recv_message()

        try:
            return json.loads(msg)
        except Exception as exception:
            print("error: " + str(exception))
            return {}

    def close(self):
        '''Close the socket to the named pipe'''
        self.sock.close()

def sendMessage(method, fileName):
    conn = Connection()
    params = {"fileName": fileName}
    conn.send_json({"jsonrpc": "2.0", "id": 0, "method": method, "params": params})
    reply = str(conn.receive_message())
    conn.close()
    return reply

if __name__ == "__main__":
    conn = Connection()

    # loop through all .xyz files in the current directory
    # and save them as .png files
    cwd = os.getcwd()
    for fileName in glob.glob("*.xyz"):
        # open the file
        print("Opening " + fileName)
        path = cwd + "/" + fileName
        print(sendMessage("openFile", path))
        # save the screenshot
        print(sendMessage("saveGraphic", path[:-4] + ".png"))