Chloroplast.ipynb

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    "***Note: this is the Chloroplast.ipynb notebook. The\n",
    "PDF version \"The Chloroplast Electron Transport Chain\"\n",
    "is available [here](Chloroplast.pdf).***\n",
    "\n",
    "*This is a work in progress and needs more explanatory notes.*"
   ]
  },
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   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
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   "source": [
    "## Some useful imports\n",
    "import BondGraphTools as bgt\n",
    "import numpy as np\n",
    "import sympy as sp\n",
    "import matplotlib.pyplot as plt\n",
    "\n",
    "## Stoichiometric analysis\n",
    "import stoich as st\n",
    "\n",
    "## SVG bg representation conversion\n",
    "import svgBondGraph as sbg\n",
    "\n",
    "## Modular bond graphs\n",
    "import modularBondGraph as mbg\n",
    "\n",
    "## Display (eg disp.SVG(), disp.\n",
    "import IPython.display as disp\n",
    "\n",
    "## Data\n",
    "import phiData\n",
    "import redoxData\n"
   ]
  },
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   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Introduction\n",
    "Photosynthesis within plant chloroplasts is the basis of life on earth <cite data-cite=\"Bla14\">(Blankenship 2014)</cite>, <cite data-cite=\"NicFer13\">(Nichols and Ferguson, 2013)</cite>.\n",
    "\n",
    "Like the mitochondrion, the chloroplast has a membrane seperating an inner space (lumen) from an outer space (stroma). In the chloroplast, the lumen gains protons and is called the p-space, the stroma looses protons and is called the n-space.\n",
    "Thus geometrically, the lumen corresponds to the mitochondrial matrix and the stroma to the mitochondrial intermembrane space; but electrically the p-space is inside and the n-space outside - the reverse of the mitochondrial situation.\n",
    "\n",
    "The chloroplast electron transport chain has 4 complexes.\n",
    "\n",
    "1. Photosystem II (PII) which absorbs photons at 680nm and splits water releasing protons into the p-space and passing electrons to the plastoquinone(PQ)/plastoquine(PQH2) couple which absorbs protons from the n-space.\n",
    "\n",
    "2. Cytochrome bf (Cyt) which passes electrons to the plastoquine/plastoquinone couple which releases two protons into the p-space. Electrons are passed to the plastocyanine couple (PcOx/PcRed). Two protons are pumped across the membrane.\n",
    "\n",
    "3. Photosystem I (PI) which absorbs photons at 700nm and transports electrons from the plastocyanine (PcRed/PcOx) couple to the ferredoxin (FdOx/FdRed) couple.\n",
    "\n",
    "4. Feredoxin-NADP reductase which transfers electrons from the ferredoxin (FdRed/FdOx) couple to convert NADP to NADPH absorbing a proton from the n-space.\n",
    "\n",
    "The following figure is: https://commons.wikimedia.org/wiki/File:Thylakoid_membrane_3.svg\n",
    "\n"
   ]
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   "execution_count": 2,
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     },
     "execution_count": 2,
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     "output_type": "execute_result"
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   ],
   "source": [
    "# https://commons.wikimedia.org/wiki/File:Thylakoid_membrane_3.svg\n",
    "disp.SVG(\"Thylakoid_membrane_3.svg\") "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Photon Energetics"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "\\begin{align}\n",
    "    \\phi_{photon} &= \\frac{N_{av}hc}{F\\lambda}\\\\\n",
    "    \\text{where } N_{av} &= \\text{Avogadro's number}\\\\\n",
    "    h &= \\text{Planck's constant}\\\\\n",
    "    c &= \\text{velocity of light}\\\\\n",
    "    F &= \\text{Faraday's constant}\\\\\n",
    "    \\text{and } \\lambda &= \\text{wavelength}\n",
    "\\end{align}\n",
    "For example:\n",
    "\\begin{equation}\n",
    "\\phi_{photon}  = \n",
    "\\begin{cases}\n",
    "   1.82 V & \\lambda = 680 nm\\\\\n",
    "   1.77 V & \\lambda = 700 nm\n",
    " \\end{cases}\n",
    "\\end{equation}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
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    "disp.SVG('V_photon.svg')"
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   "cell_type": "markdown",
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   "source": [
    "# Redox reactions"
   ]
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   "cell_type": "code",
   "execution_count": 4,
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    "disp.SVG('Redox_abg.svg')"
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   "metadata": {},
   "source": [
    "Redox reactions can be written as two half-reactions:"
   ]
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   "cell_type": "markdown",
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   "source": [
    "\\begin{align}\n",
    "\\ch{A_{red} &<>[ r1 ] n_1 e_1^- + m_1 H_1^+ +  A_{ox}}\\\\\n",
    "\\ch{B_{ox} + n_2 e_2^- + m_2 H_2^+ &<>[ r2 ] B_{red}}\n",
    "\\end{align}\n"
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   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Redox potentials\n",
    "\n",
    "Note that photon energies have been used for V_700 and V_680; this value is too large as the energy conversion is not direct. A model of this needs to be built. See, for example:\n",
    "<cite data-cite=\"BlaPri85\">(Blankenship and Prince, 1985)</cite>\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.18462115653058278\n",
      "V_pH = 184 mV\n",
      "V_680 = 1823 mV\n",
      "V_700 = 1771 mV\n"
     ]
    }
   ],
   "source": [
    "import redoxData\n",
    "## pH from BerTymStr 19.3\n",
    "pH_p = 4 # pH of p-space\n",
    "pH_n = pH_p + 3\n",
    "VpH = redoxData.VpH(pH_p - pH_n)\n",
    "V680 = redoxData.V_photon(wavelength=680)\n",
    "V700 = redoxData.V_photon(wavelength=700)\n",
    "print(VpH)\n",
    "print('V_pH =',int(1000*VpH),'mV')\n",
    "print('V_680 =',int(1000*V680),'mV')\n",
    "print('V_700 =',int(1000*V700),'mV')\n",
    "\n"
   ]
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   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
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   "source": [
    "## Convert redox potentials to species phi\n",
    "phi_redox = redoxData.phi()\n",
    "phi_redox['Hn'] = redoxData.VpH(pH_n)\n",
    "phi_redox['Hp'] = redoxData.VpH(pH_p)\n",
    "\n",
    "## The correct photon potentials need sorting out\n",
    "## The raw valyes used here are an overestimate. See BlaPri85\n",
    "phi_redox['P680'] = V680\n",
    "phi_redox['P700'] = V700\n",
    "#phi_redox['P680'] = phi_redox['P680+']\n",
    "#phi_redox['P700'] = phi_redox['P700+']\n",
    "\n",
    "## The membrane potential is said by some to be zero. (check this)\n",
    "phi_redox['dV'] = VpH"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Bond graph description\n",
    "The four complexes are represented by svg graphics which are automatically converted into BondGraphTools format.\n",
    "\n",
    "The stoichiometric toolbox is then used to generate the pathway-reduced equation for the complex.\n",
    " "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Complex PII -- Photosystem II "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"4140\">Re:r1</text>\n",
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       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"1440\">Ce:O2</text>\n",
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       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"1440\">Ce:PQ</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"1440\">Ce:PQH2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"4140\">Re:r2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"4140\">Ce:Hn</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"1440\">C:E2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"1440\">C:E1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"1440\">Ce:H2O</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"4140\">Ce:Hp</text>\n",
       "<!-- Text -->\n",
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       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"4140\">R:r</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"1440\">C:P680</text>\n",
       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
       "<polyline points=\" 9000,2700 9900,2700 9675,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
       "<polyline points=\" 6075,2925 6075,3825 6300,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
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       "<!-- Line -->\n",
       "<polyline points=\" 2025,2925 2025,3825 2250,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
       "<polyline points=\" 3600,2925 3600,3825 3375,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2925 4500,2925 4275,3150\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2790 4500,2790 4275,3015\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2610 4500,2610 4275,2835\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2475 4500,2475 4275,2700\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 8775,1575 8775,2475 9000,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 10125,2475 10125,1575 10350,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6300,2700 7200,2700 6975,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6075,1575 6075,2475 6300,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "</g>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.SVG('PII_abg.svg')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [],
   "source": [
    "sbg.model('PII_abg.svg',convertR=True,convertCe=True,quiet=True)\n",
    "import PII_abg"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{E1 + P680 &<>[ r ] E2 }\\\\\n",
       "\\ch{2 H2O &<>[ r1 ] 4 E1 + 4 Hp + O2 }\\\\\n",
       "\\ch{2 E2 + 2 Hn + PQ &<>[ r2 ] PQH2 }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "## Stoichiometry\n",
    "sPII = st.stoich(PII_abg.model(),quiet=True)\n",
    "chemostats = ['H2O','O2','PQ','PQH2','Hn','Hp','P680']\n",
    "scPII = st.statify(sPII,chemostats=chemostats)\n",
    "spPII = st.path(sPII,scPII)\n",
    "## All reactions\n",
    "disp.Latex(st.sprintrl(sPII,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{4 P680 + 2 H2O + 4 Hn + 2 PQ &<>[ pr1 ] 4 Hp + O2 + 2 PQH2 }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "## Pathway reaction\n",
    "disp.Latex(st.sprintrl(spPII,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1.0006211565305827\n",
      "0.8\n",
      "0\n",
      "0.0\n",
      "RP_PII = 822 mV\n"
     ]
    }
   ],
   "source": [
    "## Compute net redox potential\n",
    "RP_PII = (\n",
    "            - redoxData.EpH('O2/2H2O',pH=pH_p)\n",
    "            + V680\n",
    "            + redoxData.EpH('PQ/PQH2',pH=pH_n)\n",
    "         )\n",
    "\n",
    "print(redoxData.EpH('O2/2H2O',pH=pH_p))\n",
    "print(redoxData.E('P680+/P680*'))\n",
    "print(redoxData.E7('PQ/PQH2'))\n",
    "print(redoxData.EpH('PQ/PQH2',pH=pH_n))\n",
    "#print(RP_PII)\n",
    "print('RP_PII =',int(1000*RP_PII), 'mV')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Phi_PII = 3290 mV\n",
      "Ratio = 4.0\n"
     ]
    }
   ],
   "source": [
    "## Compute the reaction potential Phi\n",
    "phi = phiData.phi_species(phi_redox,spPII['species'])\n",
    "Phi_PII_ = -spPII['N'].T@phi\n",
    "Phi_PII = Phi_PII_[0][0]\n",
    "print('Phi_PII =',int(1000*Phi_PII), 'mV')\n",
    "print('Ratio =',(Phi_PII/RP_PII))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Complex Cyt -- Cytochrome bf"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg height=\"230pt\" viewBox=\"1328 878 9494 3644\" width=\"599pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<g fill=\"none\">\n",
       "<!-- Line -->\n",
       "<rect height=\"3600\" rx=\"105\" stroke=\"#ffd600\" stroke-width=\"15px\" width=\"9450\" x=\"1350\" y=\"900\"/>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"4140\">Re:r1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"1440\">Ce:PQ</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"1440\">Ce:PcOx</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"1440\">Ce:PcRed</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"4140\">Re:r2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"4140\">Ce:Hp</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"1440\">C:dV</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"1440\">C:E2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"1440\">C:E1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"1440\">Ce:PQH2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"4140\">R:r</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
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       "<!-- Line -->\n",
       "<polyline points=\" 10125,2925 10125,3825 10350,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
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       "<!-- Line -->\n",
       "<polyline points=\" 8775,1575 8775,2475 9000,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 10125,2475 10125,1575 10350,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6300,2700 7200,2700 6975,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2025,1575 2025,2475 2250,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2250,2700 3150,2700 2925,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2610 4500,2610 4275,2835\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 7650,2700 8550,2700 8325,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
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       "</g>\n",
       "</svg>"
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       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.SVG('Cyt_abg.svg')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [],
   "source": [
    "sbg.model('Cyt_abg.svg',convertR=True,convertCe=True,quiet=True)\n",
    "import Cyt_abg"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{E1 &<>[ r ] E2 + dV }\\\\\n",
       "\\ch{PQH2 &<>[ r1 ] 2 E1 + 2 Hp + PQ }\\\\\n",
       "\\ch{E2 + PcOx &<>[ r2 ] PcRed }\n",
       "\\end{align}\n"
      ],
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       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "## Stoichiometry\n",
    "sCyt = st.stoich(Cyt_abg.model(),quiet=True)\n",
    "chemostats = ['PQ','PQH2','PcOx','PcRed','Hp','dV']\n",
    "scCyt = st.statify(sCyt,chemostats=chemostats)\n",
    "spCyt = st.path(sCyt,scCyt)\n",
    "disp.Latex(st.sprintrl(sCyt,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{PQH2 + 2 PcOx &<>[ pr1 ] 2 dV + 2 Hp + PQ + 2 PcRed }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.Latex(st.sprintrl(spCyt,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.010757686938834443\n",
      "RP_Cyt = 11 mV\n"
     ]
    }
   ],
   "source": [
    "## Compute net redox potential\n",
    "RP_Cyt = (- redoxData.EpH('PQ/PQH2',pH=pH_p)\n",
    "          - redoxData.VpH(pH_p - pH_n)\n",
    "          + redoxData.E('PcOx/PcRed')\n",
    "         )\n",
    "\n",
    "print(RP_Cyt)\n",
    "print('RP_Cyt =',redoxData.mV(RP_Cyt), 'mV')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Phi_Cyt = 22 mV\n",
      "Ratio = 2\n"
     ]
    }
   ],
   "source": [
    "## Compute the reaction potential Phi\n",
    "phi = phiData.phi_species(phi_redox,spCyt['species'])\n",
    "Phi_Cyt_ = -spCyt['N'].T@phi\n",
    "Phi_Cyt = Phi_Cyt_[0][0]\n",
    "print('Phi_Cyt =',redoxData.mV(Phi_Cyt), 'mV')\n",
    "print('Ratio =', int(Phi_Cyt/RP_Cyt))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Complex PI -- Photosystem I"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg height=\"230pt\" viewBox=\"1328 878 9494 3644\" width=\"599pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<g fill=\"none\">\n",
       "<!-- Line -->\n",
       "<rect height=\"3600\" rx=\"105\" stroke=\"#ffd600\" stroke-width=\"15px\" width=\"9450\" x=\"1350\" y=\"900\"/>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"4140\">Re:r1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"1440\">Ce:PcOx</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"1440\">Ce:FdOx</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"1440\">Ce:FdRed</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"4140\">Re:r2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"1440\">C:E2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"1440\">C:P700</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"1440\">C:E1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"1440\">Ce:PcRed</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"4140\">R:r</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 4950,2700 5850,2700 5625,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 9000,2700 9900,2700 9675,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 4725,2475 4725,1575 4950,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6075,2925 6075,3825 6300,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2025,2925 2025,3825 2250,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 10125,2925 10125,3825 10350,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 8775,1575 8775,2475 9000,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 10125,2475 10125,1575 10350,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6300,2700 7200,2700 6975,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2025,1575 2025,2475 2250,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2250,2700 3150,2700 2925,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 7650,2700 8550,2700 8325,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3375,2475 3375,1575 3600,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2700 4500,2700 4275,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 7425,1575 7425,2475 7650,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6075,1575 6075,2475 6300,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "</g>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.SVG('PI_abg.svg')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [],
   "source": [
    "sbg.model('PI_abg.svg',convertR=True,convertCe=True,quiet=True)\n",
    "import PI_abg"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{E1 + P700 &<>[ r ] E2 }\\\\\n",
       "\\ch{PcRed &<>[ r1 ] E1 + PcOx }\\\\\n",
       "\\ch{E2 + FdOx &<>[ r2 ] FdRed }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "## Stoichiometry\n",
    "sPI = st.stoich(PI_abg.model(),quiet=True)\n",
    "chemostats = ['PcOx','PcRed','FdOx','FdRed','P700']\n",
    "scPI = st.statify(sPI,chemostats=chemostats)\n",
    "spPI = st.path(sPI,scPI)\n",
    "disp.Latex(st.sprintrl(sPI,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{P700 + FdOx + PcRed &<>[ pr1 ] FdRed + PcOx }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.Latex(st.sprintrl(spPI,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "RP_PI = 961 mV\n"
     ]
    }
   ],
   "source": [
    "## Compute net redox potential\n",
    "RP_PI = (\n",
    "        - redoxData.E('PcOx/PcRed')\n",
    "        + V700\n",
    "        + redoxData.E('FdOx/FdRed')\n",
    "        )\n",
    "\n",
    "#print(RP_PI)\n",
    "print('RP_PI =',redoxData.mV(RP_PI), 'mV')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Phi_PI = 961 mV\n",
      "Ratio = 1\n"
     ]
    }
   ],
   "source": [
    "## Compute the reaction potential Phi\n",
    "phi = phiData.phi_species(phi_redox,spPI['species'])\n",
    "Phi_PI_ = -spPI['N'].T@phi\n",
    "Phi_PI = Phi_PI_[0][0]\n",
    "print('Phi_PI =',redoxData.mV(Phi_PI), 'mV')\n",
    "print('Ratio =', int(round(Phi_PI/RP_PI)))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Complex Fer -- Feredoxin-NADP reductase"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg height=\"230pt\" viewBox=\"1328 878 9494 3644\" width=\"599pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<g fill=\"none\">\n",
       "<!-- Line -->\n",
       "<rect height=\"3600\" rx=\"105\" stroke=\"#ffd600\" stroke-width=\"15px\" width=\"9450\" x=\"1350\" y=\"900\"/>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"4140\">Re:r1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"1440\">Ce:FdOx</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"1440\">Ce:NADP</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"1440\">Ce:NADPH</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"4140\">Re:r2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"4140\">Ce:Hn</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"1440\">C:E2</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"1440\">C:E1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"1440\">Ce:FdRed</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"3375\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"4725\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"7425\" xml:space=\"preserve\" y=\"2790\">0</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"8775\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"10125\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"6075\" xml:space=\"preserve\" y=\"4140\">R:r</text>\n",
       "<!-- Text -->\n",
       "<text fill=\"#000000\" font-family=\"Helvetica\" font-size=\"216\" font-style=\"normal\" font-weight=\"bold\" text-anchor=\"middle\" x=\"2025\" xml:space=\"preserve\" y=\"2790\">1</text>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 7650,2790 8550,2790 8325,3015\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 7650,2610 8550,2610 8325,2835\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 4950,2700 5850,2700 5625,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 9000,2700 9900,2700 9675,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3375,2475 3375,1575 3600,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 4725,2475 4725,1575 4950,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6075,2925 6075,3825 6300,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 7425,2475 7425,1575 7650,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2025,2925 2025,3825 2250,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 10125,2925 10125,3825 10350,3600\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 8775,1575 8775,2475 9000,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 10125,2475 10125,1575 10350,1800\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 6300,2700 7200,2700 6975,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2250,2700 3150,2700 2925,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 2025,1575 2025,2475 2250,2250\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 3600,2700 4500,2700 4275,2925\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "<!-- Line -->\n",
       "<polyline points=\" 8775,3825 8775,2925 9000,3150\" stroke=\"#000000\" stroke-width=\"15px\"/>\n",
       "</g>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.SVG('Fer_abg.svg')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "metadata": {},
   "outputs": [],
   "source": [
    "sbg.model('Fer_abg.svg',convertR=True,convertCe=True,quiet=True)\n",
    "import Fer_abg"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Swapping Re:r for two Sf in Fer\n",
      "Swapping Re:r1 for two Sf in Fer\n",
      "Swapping Re:r2 for two Sf in Fer\n",
      "Swapping Re:r for two Sf in Fer\n",
      "Swapping Re:r1 for two Sf in Fer\n",
      "Swapping Re:r2 for two Sf in Fer\n"
     ]
    },
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{E1 &<>[ r ] E2 }\\\\\n",
       "\\ch{FdRed &<>[ r1 ] E1 + FdOx }\\\\\n",
       "\\ch{2 E2 + Hn + NADP &<>[ r2 ] NADPH }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 27,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "## Stoichiometry\n",
    "sFer = st.stoich(Fer_abg.model())\n",
    "chemostats = ['FdRed','FdOx','NADP','NADPH','Hn']\n",
    "scFer = st.stoich(Fer_abg.model(),chemostats=chemostats)\n",
    "spFer = st.path(sFer,scFer)\n",
    "disp.Latex(st.sprintrl(sFer,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{2 FdRed + Hn + NADP &<>[ pr1 ] 2 FdOx + NADPH }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 28,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "disp.Latex(st.sprintrl(spFer,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "RP_Fer = 105 mV\n"
     ]
    }
   ],
   "source": [
    "## Compute net redox potential\n",
    "RP_Fer = (\n",
    "        - redoxData.E('FdOx/FdRed')\n",
    "        + redoxData.EpH('NADP/NADPH',pH_n)\n",
    "        )\n",
    "\n",
    "#print(RP_Fer)\n",
    "print('RP_Fer =',int(1000*RP_Fer), 'mV')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Phi_Fer = 212 mV\n",
      "Ratio = 2\n"
     ]
    }
   ],
   "source": [
    "## Compute the reaction potential Phi\n",
    "phi = phiData.phi_species(phi_redox,spFer['species'])\n",
    "Phi_Fer_ = -spFer['N'].T@phi\n",
    "Phi_Fer = Phi_Fer_[0][0]\n",
    "print('Phi_Fer =',int(1000*Phi_Fer), 'mV')\n",
    "print('Ratio =', int(Phi_Fer/RP_Fer))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# The Electron Transport Chain\n",
    "The overall model is described a bond graph tools file:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "metadata": {},
   "outputs": [],
   "source": [
    "## File ETC_abg.py\n",
    "\n",
    "import BondGraphTools as bgt\n",
    "import PII_abg\n",
    "import Cyt_abg\n",
    "import PI_abg\n",
    "import Fer_abg\n",
    "\n",
    "def model():\n",
    "    \"\"\" \n",
    "    Model of chloroplast electron transport chain\n",
    "    \"\"\"\n",
    "\n",
    "    ETC = bgt.new(name='ETC')   # Create system\n",
    "    PII = PII_abg.model()\n",
    "    Cyt = Cyt_abg.model()\n",
    "    PI = PI_abg.model()\n",
    "    Fer = Fer_abg.model()\n",
    "    bgt.add(ETC,PII,Cyt,PI,Fer)\n",
    "    \n",
    "    return ETC\n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Unify species in model using mbg.unify()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "metadata": {},
   "outputs": [],
   "source": [
    "import ETC_abg\n",
    "model = ETC_abg.model()\n",
    "common = ['PQ','PQH2','PcOx','PcRed','FdOx', 'FdRed','Hn','Hp']\n",
    "mbg.unify(model,common,quiet=True)\n",
    "s = st.stoich(model,quiet=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/latex": [
       "\\begin{align}\n",
       "\\ch{4 P680 + 2 H2O + 4 P700 + 2 NADP + 6 Hn &<>[ pr1 ] O2 + 4 dV + 2 NADPH + 8 Hp }\n",
       "\\end{align}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Latex object>"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "chemostats = ['H2O','O2','NADP','NADPH','Hp','Hn','P680','P700','dV']\n",
    "sc = st.statify(s,chemostats=chemostats)\n",
    "sp = st.path(s,sc)\n",
    "disp.Latex(st.sprintrl(sp,chemformula=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Phi = 7603 mV\n"
     ]
    }
   ],
   "source": [
    "## Compute the reaction potential Phi\n",
    "phi = phiData.phi_species(phi_redox,sp['species'])\n",
    "Phi_ = -sp['N'].T@phi\n",
    "Phi= Phi_[0][0]\n",
    "print('Phi =',redoxData.mV(Phi), 'mV')\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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