diff --git a/AGREEmip_app.py b/AGREEmip_app.py
index 7ea9a51f9dd9e529c98d01dad0289094e7ab44dd..245e0bbc9c9cea7878c22f7a67d7ccff8e009041 100644
--- a/AGREEmip_app.py
+++ b/AGREEmip_app.py
@@ -24,7 +24,7 @@ import numpy as np
# start the main app
root = tk.Tk()
-root.title('AGREEmip - Analytical Greenness Metric for MIPs')
+root.title('AGREEmip - Analytical Greenness Metric for MIPs [v. 0.9 - Beta for review]')
root.geometry('800x490')
root.iconbitmap('AGREEmip_icon.ico')
@@ -226,11 +226,10 @@ def call_info_popup():
text = ttk.Label(win_frame, text='If you use AGREEmip, please cite:', wraplength=280, justify='left')
text.grid(column=0, row=0, padx=8, pady=8, sticky='w')
text2 = tk.Text(win_frame, width=50, height=5, wrap='word', bg=colors['background'])
- citation = 'Author 1, Author 2 ..., AGREEmip - Analytical Greenness Metric' \
- ' for MIPs, Journal Name (2024), doi.org/10.0000/0000000000'
+ citation = 'Author 1, Author 2 ..., AGREEmip â the analytical greenness assessment tool for molecularly imprinted polymers synthesis, Journal Name (2024), doi.org/10.0000/0000000000'
text2.grid(column=0, row=1, padx=8, pady=8, sticky='w')
text2.insert(tk.END, citation)
- text3 = ttk.Label(win_frame, text='Most recent version of the source code can be found at:', wraplength=320, justify='left')
+ text3 = ttk.Label(win_frame, text='The most recent version of the source code can be found at:', wraplength=320, justify='left')
text3.grid(column=0, row=2, padx=8, pady=8, sticky='w')
text4 = tk.Text(win_frame, width=50, height=1, wrap='word', bg=colors['background'])
source_link = 'git.pg.edu.pl/p174235/agreemip'
@@ -456,7 +455,7 @@ def calculate_sum(tab_index):
if tab_index < len(tabs_items_states):
tab_items_state = tabs_items_states[tab_index]
total = sum(item_state['item']['value'] for item_state in tab_items_state if item_state['var'].get() == 1)
- print("Total value of selected items for tab", tab_index, ":", total)
+ print("Total value of selected items for tab", tab_index + 1, ":", total)
return total
else:
print("Invalid tab index")
@@ -573,7 +572,7 @@ class Report:
self.pdf.set_margins(left=25, top=20)
self.tabs = tabs
self.criteria = criteria
- plt.savefig('temp_figure.png', bbox_inches='tight')
+ plt.savefig('temp_figure.png', bbox_inches='tight', dpi=300)
# insert image (image, x, y, width):
self.pdf.image('temp_figure.png', 107, 10, 80)
# delete the temp file from drive:
@@ -614,7 +613,13 @@ class Report:
self.pdf.cell(12, 12, number, border=1, align='C')
self.pdf.set_fill_color(240, 240, 240)
self.pdf.set_font('Helvetica', 'B', 10)
- self.pdf.cell(120, 6, tabs.title, border=1, ln=2, align='L', fill=True)
+
+ if isinstance(tabs, str):
+ caption = tabs
+ else:
+ caption = tabs.title
+
+ self.pdf.cell(120, 6, caption, border=1, ln=2, align='L', fill=True)
self.pdf.set_font('Helvetica', '', 8)
self.pdf.cell(120, 6, text, border=1, ln=0, align='L', fill=False)
self.pdf.set_font('Helvetica', '', 10)
@@ -631,7 +636,7 @@ class Report:
self.pdf.cell(12, 12, str(criterion.radiovar.get()), border=1, fill=True, align='C')
self.pdf.ln(15)
- create_report_field('1.', self.tabs[0], self.criteria[0],
+ create_report_field('1.', 'Removal of polymerization inhibitors', self.criteria[0],
('Waste generation: ' + self.criteria[0].optionvar.get()))
create_report_field('2.', self.tabs[1], self.criteria[1],
@@ -650,7 +655,7 @@ class Report:
('Total mass of other reagents, adjuvants, or carriers: ' + self.criteria[5].valuevar.get() + ' [g]'))
create_report_field('7.', self.tabs[6], self.criteria[6],
- ('Total mass of reagents used in core/particles preparation, surface modification, or both: ' + self.criteria[6].valuevar.get() + ' [g]'))
+ ('Mass of reagents used in core/particles preparation, surface modification, or both: ' + self.criteria[6].valuevar.get() + ' [g]'))
create_report_field('8.', self.tabs[7], self.criteria[7],
('Initiator: ' + self.criteria[7].optionvar.get()))
@@ -733,8 +738,8 @@ tabs_items_states = []
Populate the tabs
'''
# --------------------------- TAB1 ---------------------------
-tab1 = Tab(tab_no='1 ', title='Preparation of polymerization reaction substrates - removal of polymerization inhibitors',
- text1='Assessment of the consequences of removal of polymerization inhibitor from polymerization mixture. This can be done with solid and/or liquid waste generation, or without any resulting waste.',
+tab1 = Tab(tab_no='1 ', title='Removal of polymerization inhibitors',
+ text1='Assessment of the consequences of removal of polymerization inhibitor from polymerization reagents. This can be done with solid and/or liquid waste generation, or without any resulting waste.',
text2='Waste generation:', criterion=criteria[0])
# create a frame to pack the entry into in order to get a border for the entry:
@@ -761,7 +766,7 @@ dropdown1.grid(column=0, row=3, padx=8, pady=8, sticky='w')
# --------------------------- TAB2 ---------------------------
tab2 = Tab(tab_no='2 ', title='Functional monomer',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+ text1='Assess the risk associated with the functional monomer component of the polymerization mixture.',
text2='Select the relevant hazard statements:',
criterion=criteria[1])
@@ -799,7 +804,7 @@ ttk.Button(tab2.frame, text='Set', command=calc_crit_2, width=8).grid(column=0,
# --------------------------- TAB3 ---------------------------
tab3 = Tab(tab_no='3 ', title='Template',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+ text1='Assess the risk associated with the template component of the polymerization mixture.',
text2='Select the relevant hazard statements:',
criterion=criteria[2])
@@ -836,7 +841,7 @@ ttk.Button(tab3.frame, text='Set', command=calc_crit_3, width=8).grid(column=0,
# --------------------------- TAB4 ---------------------------
tab4 = Tab(tab_no='4 ', title='Cross-linking agent',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+ text1='Assess the risk associated with the cross-linking agent component of the polymerization mixture.',
text2='Select the relevant hazard statements:',
criterion=criteria[3])
@@ -870,8 +875,8 @@ ttk.Button(tab4.frame, text='Set', command=calc_crit_4, width=8).grid(column=0,
# --------------------------- TAB5 ---------------------------
-tab5 = Tab(tab_no='5 ', title='Porogen / solvent',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+tab5 = Tab(tab_no='5 ', title='Porogen/solvent',
+ text1='Assess the risk associated with the porogen/solvent component of the polymerization mixture.',
text2='Select the relevant hazard statements:',
criterion=criteria[4])
@@ -906,7 +911,7 @@ ttk.Button(tab5.frame, text='Set', command=calc_crit_5, width=8).grid(column=0,
# --------------------------- TAB6 ---------------------------
tab6 = Tab(tab_no='6 ', title='Other reagents, adjuvants, or carriers',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+ text1='Assess the risk associated with other reagents, adjuvants, or carriers in the polymerization mixture.',
text2='Select the relevant hazard statements:',
criterion=criteria[5])
@@ -940,8 +945,8 @@ ttk.Button(tab6.frame, text='Set', command=calc_crit_6, width=8).grid(column=0,
# --------------------------- TAB7 ---------------------------
-tab7 = Tab(tab_no='7 ', title='Core / particles preparation and surface modification',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+tab7 = Tab(tab_no='7 ', title='Core/particles preparation and surface modification',
+ text1='Assess the risk associated with core/particles preparation and surface modification.',
text2='Select the relevant hazard statements:',
criterion=criteria[6])
@@ -976,7 +981,7 @@ ttk.Button(tab7.frame, text='Set', command=calc_crit_7, width=8).grid(column=0,
# --------------------------- TAB8 ---------------------------
tab8 = Tab(tab_no='8 ', title='Polymerisation initiation',
- text1='Lorem ipsum dolor sit amet.',
+ text1='The polymerisation reaction can be initiated in several ways, some more problematic than others.',
text2='Select the initiator:', criterion=criteria[7])
# create a frame to pack the entry into in order to get a border for the entry:
@@ -1006,19 +1011,20 @@ dropdown8.grid(column=0, row=3, padx=8, pady=8, sticky='w')
# --------------------------- TAB9 ---------------------------
tab9 = Tab(tab_no='9 ', title='Size of polymer particles',
- text1='Lorem ipsum dolor sit amet.',
+ text1='The size of the sorbent grain impacts the greenness of the system.',
text2='Select the sorbent grain size:', criterion=criteria[8])
# create a frame to pack the entry into in order to get a border for the entry:
f9 = tk.Frame(tab9.frame, border=2, background=colors['accent'])
f9.grid(column=0, row=3, padx=8, pady=8, sticky='w')
-tab9_choices = {'In-situ polymerisation': 1.0,
- '> 1000 nm': 0.8,
- '100-1000 nm': 0.6,
- '10-100 nm': 0.4,
- 'Carbon dots': 0.2,
- 'Quantum dots': 0.1,
+tab9_choices = {'Macro-MIPs': 1.0,
+ '> 1000 nm': 0.9,
+ '100-1000 nm': 0.8,
+ 'Âľm (obtained after crushing and sieving)': 0.6,
+ '10-100 nm': 0.5,
+ 'Carbon dots': 0.4,
+ 'Quantum dots': 0.2,
}
dropdown9 = ttk.OptionMenu(tab9.frame, criteria[8].optionvar, criteria[8].optionvar.get(), *tab9_choices.keys(),
@@ -1037,7 +1043,7 @@ dropdown9.grid(column=0, row=3, padx=8, pady=8, sticky='w')
# --------------------------- TAB10 ---------------------------
tab10 = Tab(tab_no='10', title='Template elution solvent',
- text1='Duis semper turpis ipsum, pretium venenatis mauris ultricies sit amet.',
+ text1='Assess the risk associated with template elution/removal.',
text2='Select the relevant hazard statements:',
criterion=criteria[9])
@@ -1069,7 +1075,7 @@ ttk.Button(tab10.frame, text='Set', command=calc_crit_10, width=8).grid(column=0
# --------------------------- TAB11 ---------------------------
tab11 = Tab(tab_no='11', title='Template elution technique',
- text1='Lorem ipsum dolor sit amet.',
+ text1='Assess the impact of the selected template elution/removal technique.',
text2='Select the relevant elution technique:', criterion=criteria[10])
# create a frame to pack the entry into in order to get a border for the entry:
@@ -1098,7 +1104,7 @@ dropdown11.grid(column=0, row=3, padx=8, pady=8, sticky='w')
# --------------------------- TAB12 ---------------------------
tab12 = Tab(tab_no='12', title='Final product reusability',
- text1='Lorem ipsum dolor sit amet.',
+ text1='End product reusability is desirable.',
text2='How many times can the final product be reused?', criterion=criteria[11])
# create a frame to pack the entry into in order to get a border for the entry:
@@ -1110,8 +1116,8 @@ tab12_choices = {'Reused > 10 times': 1.0,
'Single use': 0.0,
}
-dropdown12 = ttk.OptionMenu(tab12.frame, criteria[11].optionvar, criteria[11].optionvar.get(), *tab11_choices.keys(),
- command=lambda x: change_dropdown(criteria[11], tab11_choices))
+dropdown12 = ttk.OptionMenu(tab12.frame, criteria[11].optionvar, criteria[11].optionvar.get(), *tab12_choices.keys(),
+ command=lambda x: change_dropdown(criteria[11], tab12_choices))
# the ttk style for OptionMenu does not include a style for the tk dropdown menu,
# so this has to be configured separately:
dropdown12['menu'].config(background=colors['background'],