def create_print_mad(run_info, d_mad, list_order):
"""
Create the table then print the mad
"""
# -#-#-#- #
# I n i t #
# -#-#-#- #
table_body = []
# -#-#-#-#-#- #
# H e a d e r #
# -#-#-#-#-#- #
header_name = "Run_id Method Basis Geo Comments mad".split()
header_unit = [DEFAULT_CHARACTER] * 5 + ["kcal/mol"]
# -#-#-#- #
# B o d y #
# -#-#-#- #
for run_id, l in run_info.iteritems():
mad = d_mad[run_id] if run_id in d_mad else 0.
line = [run_id] + l + [mad]
table_body.append(line)
# -#-#-#-#-#- #
# F o r m a t #
# -#-#-#-#-#- #
table_body = order_by(list_order, header_name, table_body)
table_body = format_table(header_name, table_body)
# -#-#-#-#-#-#-#- #
# B i g Ta b l e #
# -#-#-#-#-#-#-#- #
table_body = [map(str, i) for i in table_body]
table_data = [header_name] + [header_unit] + table_body
table_big = AsciiTable(table_data)
print table_big.table(row_separator=2)
def create_print_mad(run_info, d_mad, list_order):
"""
Create the table then print the mad
"""
# -#-#-#- #
# I n i t #
# -#-#-#- #
table_body = []
# -#-#-#-#-#- #
# H e a d e r #
# -#-#-#-#-#- #
header_name = "Run_id Method Basis Geo Comments mad".split()
header_unit = [DEFAULT_CHARACTER] * 5 + ["kcal/mol"]
# -#-#-#- #
# B o d y #
# -#-#-#- #
for run_id, l in run_info.iteritems():
mad = d_mad[run_id] if run_id in d_mad else 0.
line = [run_id] + l + [mad]
table_body.append(line)
# -#-#-#-#-#- #
# F o r m a t #
# -#-#-#-#-#- #
table_body = order_by(list_order, header_name, table_body)
table_body = format_table(header_name, table_body)
# -#-#-#-#-#-#-#- #
# B i g Ta b l e #
# -#-#-#-#-#-#-#- #
table_body = [map(str, i) for i in table_body]
table_data = [header_name] + [header_unit] + table_body
table_big = AsciiTable(table_data)
print table_big.table(row_separator=2)
def print_table_energy(run_info, table_body, header_name, header_unit):
"""
Print the famous energy table.
If is to big, split it !
"""
# -#-#-#-#-#-#-#- #
# B i g Ta b l e #
# -#-#-#-#-#-#-#- #
from src.terminaltables import AsciiTable
table_body = [map(str, i) for i in table_body]
table_data = [header_name] + [header_unit] + table_body
table_big = AsciiTable(table_data)
# -#-#-#-#-#- #
# F i l t e r #
# -#-#-#-#-#- #
# Table_big.ok Check if the table will fit in the terminal
mode = config.get("Size", "mode")
if all([mode == "Auto",
not table_big.ok]) or mode == "Small":
# Split into two table
# table_run_id (run _id -> method,basis, comment)
# table_data_small (run_id -> energy, etc)
table_run_id = ["Run_id Method Basis Geo Comments".split()]
for run_id, l in run_info.iteritems():
line = [run_id] + l
table_run_id.append(line)
t = AsciiTable([map(str, i) for i in table_run_id])
print t.table()
table_data_small = [[l[0]] + l[5:] for l in table_data]
t = AsciiTable(table_data_small)
print t.table(row_separator=2)
else:
print table_big.table(row_separator=2)
def print_table_energy(run_info, table_body, header_name, header_unit):
"""
Print the famous energy table.
If is to big, split it !
"""
# -#-#-#-#-#-#-#- #
# B i g Ta b l e #
# -#-#-#-#-#-#-#- #
from src.terminaltables import AsciiTable
table_body = [map(str, i) for i in table_body]
table_data = [header_name] + [header_unit] + table_body
table_big = AsciiTable(table_data)
# -#-#-#-#-#- #
# F i l t e r #
# -#-#-#-#-#- #
# Table_big.ok Check if the table will fit in the terminal
mode = config.get("Size", "mode")
if all([mode == "Auto", not table_big.ok]) or mode == "Small":
# Split into two table
# table_run_id (run _id -> method,basis, comment)
# table_data_small (run_id -> energy, etc)
table_run_id = ["Run_id Method Basis Geo Comments".split()]
for run_id, l in run_info.iteritems():
line = [run_id] + l
table_run_id.append(line)
t = AsciiTable([map(str, i) for i in table_run_id])
print t.table()
table_data_small = [[l[0]] + l[5:] for l in table_data]
t = AsciiTable(table_data_small)
print t.table(row_separator=2)
else:
print table_big.table(row_separator=2)